data_2ezl_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 2ezl _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 ' 92' ' ' LEU . . . . . . . . . . . . . 46.0 tp . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -69.17 -30.45 68.67 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.413 -0.805 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -59.98 -40.24 88.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.011 -1.055 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.13 -40.41 94.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.199 -0.938 . . . . 0.0 108.709 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.588 ' NE1' ' NH1' ' A' ' 104' ' ' ARG . 5.2 t-105 -60.17 -49.72 76.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.45 -0.781 . . . . 0.0 108.928 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.69 -33.2 54.62 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.196 -0.94 . . . . 0.0 109.961 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -87.32 -3.15 59.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.59 150.75 46.73 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.324 -0.86 . . . . 0.0 109.339 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 t -71.04 159.93 33.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.118 -0.989 . . . . 0.0 109.191 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.01 -39.1 84.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.547 -0.72 . . . . 0.0 109.927 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.8 t -60.66 -40.7 93.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.87 -39.93 91.04 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.1 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.588 ' NH1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 mtt-85 -60.54 -40.08 90.22 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.154 -0.966 . . . . 0.0 108.824 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.12 -41.87 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.549 -0.72 . . . . 0.0 110.177 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.21 -50.0 75.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.051 -1.031 . . . . 0.0 109.364 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.04 93.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 0.0 109.891 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.0 -39.67 86.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.462 -0.774 . . . . 0.0 109.612 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.88 -4.16 58.55 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.889 -1.132 . . . . 0.0 113.711 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 8.0 tp -76.33 -38.41 2.29 Favored Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 119.561 -1.962 . . . . 0.0 111.525 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 11.9 Cg_exo -69.27 -31.55 22.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.55 -40.0 57.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 110.324 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.4 t -67.07 -47.41 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.845 -1.16 . . . . 0.0 108.771 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.91 -40.17 94.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.111 -0.993 . . . . 0.0 109.612 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.39 92.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.684 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.17 90.1 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 110.196 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.52 -42.07 91.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.9 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 99.0 mt-10 -63.2 -39.99 96.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.512 -0.742 . . . . 0.0 109.408 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.7 mmm -62.4 -40.03 95.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.844 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.6 -39.55 94.67 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.22 -0.925 . . . . 0.0 111.235 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.6 p30 -65.17 -18.64 65.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.77 -1.206 . . . . 0.0 110.867 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.53 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 59.1 tt0 -81.15 -4.04 54.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 108.974 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.26 25.16 75.13 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.617 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.33 147.59 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.261 . . . . 0.0 108.571 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.9 p -56.46 141.53 42.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.097 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -59.36 -39.98 85.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.404 -0.81 . . . . 0.0 110.264 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -58.92 -47.73 83.97 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.16 -0.962 . . . . 0.0 109.235 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -69.01 -41.9 77.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.194 -0.942 . . . . 0.0 109.498 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.459 -0.776 . . . . 0.0 110.204 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -69.29 -40.12 77.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.152 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.39 97.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.794 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.7 m -62.35 -46.44 88.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.074 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.35 -45.88 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.941 -1.099 . . . . 0.0 108.632 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.35 -33.54 73.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.525 -0.734 . . . . 0.0 109.033 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.53 -49.11 26.29 Favored Glycine 0 C--N 1.295 -1.701 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.81 -40.28 69.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.177 -1.19 . . . . 0.0 110.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.9 m-85 -99.27 137.84 37.21 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.085 -1.009 . . . . 0.0 108.843 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -84.81 61.02 6.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.835 -1.165 . . . . 0.0 109.165 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.95 160.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.474 -0.766 . . . . 0.0 109.16 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.9 t -72.65 128.38 35.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.73 91.93 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.044 -1.035 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.9 m -62.01 -40.06 94.37 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.916 -1.115 . . . . 0.0 110.362 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 57.7 m -62.81 -49.12 76.21 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.231 -0.918 . . . . 0.0 110.358 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.55 -40.15 90.52 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.327 -0.858 . . . . 0.0 110.148 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.21 -49.19 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.953 -1.092 . . . . 0.0 109.655 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.51 -41.15 93.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.156 -0.965 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -68.28 -37.27 80.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -59.89 -47.39 85.97 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -69.78 -37.5 76.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.957 -1.09 . . . . 0.0 109.954 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.976 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.99 -10.95 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.45 -1.406 . . . . 0.0 109.956 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -38.67 83.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 109.553 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -75.89 -11.51 59.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 110.241 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.86 155.92 18.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.939 -1.101 . . . . 0.0 110.164 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -52.19 149.99 4.91 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.584 0.707 . . . . 0.0 109.134 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.9 ttpp -66.49 -40.7 35.45 Favored Pre-proline 0 C--N 1.299 -1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 111.992 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 97.0 Cg_endo -80.13 -21.88 7.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.713 1.609 . . . . 0.0 113.952 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 35.9 p-10 -82.12 4.88 21.47 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.545 -1.347 . . . . 0.0 108.856 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 31.5 m0 -58.65 -40.75 84.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.97 89.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.337 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.98 64.76 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.352 -0.843 . . . . 0.0 109.34 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.531 -0.73 . . . . 0.0 110.686 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.22 -9.18 58.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.879 -1.138 . . . . 0.0 109.6 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.488 1.461 0 O-C-N 120.989 -1.07 . . . . 0.0 108.935 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 tp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.645 0.736 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -68.66 -29.78 68.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.689 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.4 t -60.15 -40.67 90.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.372 -1.455 . . . . 0.0 109.14 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.3 t-105 -60.13 -43.37 95.73 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.283 -0.886 . . . . 0.0 109.617 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.15 -39.71 83.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -80.42 -6.79 58.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.931 . . . . 0.0 109.184 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.62 153.52 42.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.093 -1.004 . . . . 0.0 109.501 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.4 p -75.88 164.82 25.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 30.4 p-10 -60.05 -40.19 88.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.536 ' HG ' ' N ' ' A' ' 103' ' ' GLN . 93.5 p -60.03 -39.58 86.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.0 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' N ' ' HG ' ' A' ' 102' ' ' SER . 73.1 mt-30 -66.64 -40.24 88.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.264 -0.898 . . . . 0.0 111.149 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.2 mtm180 -64.52 -41.39 96.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.56 -1.338 . . . . 0.0 110.99 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.53 -37.35 77.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.643 -1.285 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.18 -46.9 88.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.904 -1.122 . . . . 0.0 108.685 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.11 94.45 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.77 -38.19 84.43 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.37 -0.831 . . . . 0.0 109.236 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.37 -37.37 80.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.162 -0.961 . . . . 0.0 111.144 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -86.71 -7.93 57.86 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.929 -1.107 . . . . 0.0 113.222 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 26.0 tp -76.82 -36.21 1.58 Allowed Pre-proline 0 N--CA 1.506 2.371 0 O-C-N 119.502 -1.998 . . . . 0.0 112.463 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.3 Cg_exo -67.69 -32.71 29.74 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.62 2.213 . . . . 0.0 112.165 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.75 60.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -0.942 . . . . 0.0 109.717 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.78 -41.97 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.958 . . . . 0.0 108.854 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.35 -43.69 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.056 -1.027 . . . . 0.0 109.685 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.91 86.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 0.0 110.563 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.4 90.35 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.185 -0.947 . . . . 0.0 110.373 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.09 -41.48 92.56 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.928 -1.107 . . . . 0.0 109.378 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.8 -45.65 88.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.208 -0.932 . . . . 0.0 109.595 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.3 mtt -64.58 -40.14 94.99 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.949 -1.094 . . . . 0.0 110.012 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.67 -36.94 84.5 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.59 -0.694 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.1 -35.92 76.28 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.11 -0.994 . . . . 0.0 110.34 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.97 -1.33 9.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.131 -0.981 . . . . 0.0 108.79 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 36.06 55.43 Favored Glycine 0 N--CA 1.493 2.451 0 O-C-N 121.352 -0.842 . . . . 0.0 111.263 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.85 145.35 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -53.09 130.04 32.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.95 -1.094 . . . . 0.0 109.518 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -54.11 -44.59 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.437 -0.789 . . . . 0.0 110.48 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -59.81 -47.63 84.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 0.0 109.045 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.5 m -66.16 -44.81 83.03 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.49 69.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.434 -0.791 . . . . 0.0 110.414 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.84 -39.34 87.58 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.927 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.61 88.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 0.0 109.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -61.77 -40.28 94.63 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.053 -1.029 . . . . 0.0 110.128 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.06 -46.81 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.5 -31.22 72.32 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.315 -0.866 . . . . 0.0 108.712 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.83 -50.82 33.03 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.54 -44.09 45.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.972 . . . . 0.0 110.073 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.2 m-85 -93.7 139.26 31.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -83.93 63.13 7.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.921 -1.112 . . . . 0.0 109.508 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.13 156.97 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.2 m -74.41 131.61 41.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.059 -1.026 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.09 84.9 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.639 0.733 . . . . 0.0 109.051 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -67.47 -42.1 83.56 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.583 -0.698 . . . . 0.0 110.474 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.7 m -65.07 -47.5 77.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.441 -1.412 . . . . 0.0 109.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.5 -42.15 95.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.886 . . . . 0.0 109.382 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.04 -50.21 74.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.148 -0.97 . . . . 0.0 110.585 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -64.25 -43.03 96.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.225 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -61.99 -39.12 91.14 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.513 -0.742 . . . . 0.0 109.701 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -58.93 -47.07 86.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.834 -1.166 . . . . 0.0 110.368 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -60.54 -39.91 89.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.998 -1.064 . . . . 0.0 110.64 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.97 -40.5 93.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 111.178 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.48 -8.46 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.022 -1.049 . . . . 0.0 110.542 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.48 -38.66 81.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 0.0 109.929 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.93 -3.92 44.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.613 -0.68 . . . . 0.0 109.437 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.47 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 66.1 m-85 -110.6 142.68 42.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.608 -0.682 . . . . 0.0 110.275 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.534 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.57 147.98 25.42 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.569 -0.707 . . . . 0.0 109.991 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 33.5 mmtm -60.24 -39.8 71.58 Favored Pre-proline 0 N--CA 1.502 2.152 0 O-C-N 120.818 -1.176 . . . . 0.0 111.403 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 34.5 Cg_exo -59.8 -36.65 90.55 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.271 1.981 . . . . 0.0 112.993 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 6.3 p-10 -89.06 0.4 56.73 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.639 -1.288 . . . . 0.0 111.046 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.3 m0 -59.38 -40.13 85.56 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.668 -1.27 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.09 86.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.152 . . . . 0.0 109.614 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.08 -39.91 75.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.84 . . . . 0.0 109.591 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.96 88.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.987 -1.071 . . . . 0.0 110.409 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 98.6 mt -71.04 -1.79 13.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 110.452 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.49 1.53 0 O-C-N 120.939 -1.1 . . . . 0.0 109.681 -179.406 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.273 0.559 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.003 -1.061 . . . . 0.0 111.12 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -39.64 86.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.912 -1.117 . . . . 0.0 109.764 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.23 -40.36 93.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.7 -1.25 . . . . 0.0 109.365 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.5 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.29 -45.64 92.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.016 -1.053 . . . . 0.0 108.788 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 63.0 t0 -59.17 -39.78 83.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.439 -0.788 . . . . 0.0 109.496 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -85.5 -4.01 59.03 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.604 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.87 150.52 48.47 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.423 -0.798 . . . . 0.0 109.25 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.7 p -71.22 161.89 30.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.664 -1.272 . . . . 0.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.12 -40.09 88.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.954 -1.091 . . . . 0.0 110.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -59.01 -39.49 82.02 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.817 -1.177 . . . . 0.0 109.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.41 -40.36 93.29 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.059 -1.026 . . . . 0.0 109.784 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.502 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 94.5 mtt180 -67.73 -40.72 84.16 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.037 -1.039 . . . . 0.0 109.471 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' HG3' ' A' ' 105' ' ' ARG . 37.6 ttm-85 -63.42 -39.73 95.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.03 -43.26 95.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.326 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.61 98.26 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.941 -1.099 . . . . 0.0 109.81 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.345 -0.847 . . . . 0.0 109.268 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -67.39 -33.99 76.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.591 -0.693 . . . . 0.0 111.272 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.27 -10.47 52.3 Favored 'General case' 0 N--CA 1.516 2.852 0 O-C-N 120.645 -1.285 . . . . 0.0 113.551 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 10.1 tp -75.85 -38.64 2.59 Favored Pre-proline 0 N--CA 1.512 2.645 0 O-C-N 119.62 -1.925 . . . . 0.0 111.033 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 32.3 Cg_exo -59.14 -33.26 98.29 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.622 2.215 . . . . 0.0 112.199 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.15 -44.85 28.77 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.478 -1.389 . . . . 0.0 110.425 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.6 -42.83 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.743 -1.223 . . . . 0.0 109.043 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.28 -42.98 92.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.477 -0.764 . . . . 0.0 110.217 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.008 -1.057 . . . . 0.0 109.77 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.97 94.16 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.456 -0.778 . . . . 0.0 110.14 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 58.8 t0 -59.77 -41.51 91.24 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.109 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.56 -43.25 97.48 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.862 -1.149 . . . . 0.0 109.646 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.04 -39.83 91.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.625 -0.672 . . . . 0.0 110.62 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.43 -28.21 69.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.813 -1.179 . . . . 0.0 109.39 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.77 -27.71 68.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.983 -1.073 . . . . 0.0 109.176 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -80.22 -2.8 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.581 -0.7 . . . . 0.0 109.139 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.39 33.35 61.49 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.162 -1.018 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.97 139.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -1.034 . . . . 0.0 108.481 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.4 p -51.81 141.39 17.32 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.995 -1.066 . . . . 0.0 109.856 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -57.5 -43.26 84.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.133 -0.979 . . . . 0.0 111.091 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.95 -46.15 90.34 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.79 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -69.18 -41.24 77.46 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 120.884 -1.135 . . . . 0.0 109.241 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.55 69.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.557 -0.715 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -67.7 -39.58 84.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.222 . . . . 0.0 110.484 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.67 76.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.465 -1.397 . . . . 0.0 108.504 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.198 0.523 . . . . 0.0 110.811 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.17 -40.68 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.856 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.66 -24.53 64.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.07 -1.019 . . . . 0.0 109.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.65 -49.08 19.94 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -73.8 -41.71 61.98 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -1.101 . . . . 0.0 109.09 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.7 m-85 -98.38 133.24 43.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.517 -0.739 . . . . 0.0 109.051 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -80.47 62.2 4.48 Favored 'General case' 0 C--O 1.2 -1.524 0 O-C-N 120.893 -1.129 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.12 150.46 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.9 t -68.38 130.59 43.33 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.567 0.698 . . . . 0.0 110.038 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.86 91.72 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.152 -0.967 . . . . 0.0 110.717 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.0 m -63.27 -39.96 96.05 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.63 -0.669 . . . . 0.0 110.106 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.0 m -66.91 -49.84 64.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.491 -1.38 . . . . 0.0 110.905 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.67 -40.93 89.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.948 -1.095 . . . . 0.0 109.632 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -59.72 -49.88 76.03 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.379 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.31 -40.69 95.13 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.781 -1.2 . . . . 0.0 109.466 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.496 ' HZ3' ' CD2' ' A' ' 164' ' ' LEU . 8.4 mtpm? -69.77 -35.36 74.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 0.0 110.545 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.72 -47.58 85.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.839 -1.163 . . . . 0.0 110.391 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -70.44 -35.43 73.35 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.317 -0.864 . . . . 0.0 109.977 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.709 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.13 -9.08 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.55 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.18 -40.77 86.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.45 -10.43 59.46 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.955 -1.09 . . . . 0.0 110.155 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -102.46 142.03 34.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.182 -0.949 . . . . 0.0 109.093 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.36 145.96 49.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 14.3 mttm -52.92 -49.95 84.32 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 53.6 Cg_exo -49.65 -34.93 36.52 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.336 2.024 . . . . 0.0 113.075 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -88.13 -4.07 58.8 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -58.25 -39.66 79.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.657 -1.277 . . . . 0.0 109.933 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.05 72.84 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.873 -1.131 . . . . 0.0 109.248 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.96 -40.22 65.53 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.047 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.88 83.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.162 -0.961 . . . . 0.0 110.204 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . 0.496 ' CD2' ' HZ3' ' A' ' 148' ' ' LYS . 80.4 mt -72.54 -0.98 14.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.534 -0.729 . . . . 0.0 109.988 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.301 -1.527 0 O-C-N 120.876 -1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.321 0.581 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -64.42 -32.95 74.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -59.91 -39.33 85.05 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.805 -1.184 . . . . 0.0 107.923 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.178 -0.951 . . . . 0.0 108.91 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.455 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.6 t-105 -60.4 -49.32 78.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.006 -1.059 . . . . 0.0 109.529 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -58.18 -38.93 77.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.384 -0.823 . . . . 0.0 110.009 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 98' ' ' ASN . 2.1 m120 -81.67 -3.38 53.4 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.92 -1.113 . . . . 0.0 109.317 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.47 154.32 42.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.49 -0.756 . . . . 0.0 109.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 p -73.22 160.26 32.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.271 -0.893 . . . . 0.0 109.915 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.26 -40.01 88.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.744 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.5 t -60.01 -40.01 87.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 110.079 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.02 -40.52 95.98 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.147 -0.971 . . . . 0.0 110.354 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -66.05 -39.97 90.55 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.319 -0.863 . . . . 0.0 109.622 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.3 -39.92 88.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 110.605 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.19 -50.28 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.084 -1.01 . . . . 0.0 109.117 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.27 96.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.0 109.797 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.367 0.603 . . . . 0.0 109.489 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.24 -39.35 86.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 111.298 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -85.82 -8.99 57.75 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.934 -1.104 . . . . 0.0 113.584 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 23.7 tp -74.76 -36.94 2.57 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 119.461 -2.025 . . . . 0.0 112.293 -177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.1 Cg_exo -64.03 -32.57 64.53 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.146 1.897 . . . . 0.0 112.388 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.61 53.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.38 -0.825 . . . . 0.0 110.485 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -44.58 79.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.121 -0.987 . . . . 0.0 110.199 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -65.17 -42.23 93.87 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.784 -1.197 . . . . 0.0 110.37 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.49 90.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.141 -0.974 . . . . 0.0 109.975 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.65 94.65 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -59.91 -44.16 94.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.738 . . . . 0.0 109.439 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.05 -40.77 94.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.115 -0.991 . . . . 0.0 109.252 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.31 -40.14 89.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.324 -0.86 . . . . 0.0 109.738 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.53 -30.71 70.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.618 -0.676 . . . . 0.0 109.705 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.52 -40.16 90.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -73.46 -3.06 25.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.87 -1.144 . . . . 0.0 108.573 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.81 41.41 42.02 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.234 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 79.7 mt -78.6 145.04 10.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.026 -1.279 . . . . 0.0 108.808 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -51.01 138.18 19.96 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.032 -1.042 . . . . 0.0 110.005 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 p -58.8 -46.0 88.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.572 -0.705 . . . . 0.0 110.466 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -60.03 -47.81 84.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.919 -1.113 . . . . 0.0 109.272 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.8 m -66.51 -43.81 84.26 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.335 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.65 80.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.332 -0.855 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.6 -40.08 80.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.646 -1.284 . . . . 0.0 109.168 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.76 92.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.124 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.7 m -62.55 -44.99 94.98 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.835 -1.165 . . . . 0.0 109.5 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.62 -42.96 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.238 -0.914 . . . . 0.0 109.207 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.37 -30.4 70.78 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.554 -1.341 . . . . 0.0 109.198 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.04 10.96 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.56 -41.75 83.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.693 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 135' ' ' ALA . 93.5 m-85 -101.86 132.75 47.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.282 -0.886 . . . . 0.0 109.36 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -81.93 66.63 7.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.746 -1.221 . . . . 0.0 108.907 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.07 155.31 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.788 -0.57 . . . . 0.0 109.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t -70.34 130.0 40.8 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.187 -0.946 . . . . 0.0 109.24 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.317 -0.865 . . . . 0.0 108.942 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.4 t -64.41 -40.87 96.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.2 m -65.78 -46.59 78.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.521 -1.362 . . . . 0.0 108.576 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.07 -40.87 91.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 146' ' ' ARG . 28.5 ttt-85 -60.08 -50.63 72.96 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.201 -0.937 . . . . 0.0 110.49 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -59.97 -42.14 93.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.902 -1.124 . . . . 0.0 110.47 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.98 -34.28 76.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 110.259 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.94 -48.7 80.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.865 -1.147 . . . . 0.0 110.473 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -69.96 -35.15 74.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.908 -1.12 . . . . 0.0 110.478 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.803 -1.186 . . . . 0.0 110.604 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.38 -15.5 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.801 -1.187 . . . . 0.0 110.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.377 -0.827 . . . . 0.0 109.755 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.04 -4.04 42.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.001 -1.062 . . . . 0.0 110.099 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.65 152.54 24.67 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 140.34 57.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.285 -0.884 . . . . 0.0 108.781 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -57.91 -40.82 86.44 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.9 -1.125 . . . . 0.0 110.7 -178.096 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.3 Cg_exo -62.43 -30.19 79.96 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.116 1.877 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -88.8 -0.82 57.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.199 -0.938 . . . . 0.0 110.628 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -57.47 -39.35 76.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.139 -0.976 . . . . 0.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.01 84.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.69 -1.256 . . . . 0.0 109.536 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.68 -39.29 52.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.61 80.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 0.0 110.473 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.67 -39.45 91.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.823 -1.173 . . . . 0.0 109.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.9 t . . . . . 0 N--CA 1.493 1.718 0 O-C-N 120.745 -1.222 . . . . 0.0 110.36 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.418 0.628 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.0 -34.54 73.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.1 m -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.854 -1.154 . . . . 0.0 109.623 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.57 -40.07 94.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 108.982 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -60.06 -47.31 86.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.72 . . . . 0.0 110.07 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -58.94 -40.02 83.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.995 -1.066 . . . . 0.0 108.946 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.01 -0.21 57.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.396 -0.815 . . . . 0.0 110.392 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.45 155.8 24.52 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.839 -1.163 . . . . 0.0 109.226 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 158.33 35.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.98 -1.075 . . . . 0.0 108.965 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -59.91 -39.98 87.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.39 -0.819 . . . . 0.0 110.082 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.9 p -59.96 -39.84 86.99 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.96 -42.1 97.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.435 -0.791 . . . . 0.0 110.742 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.411 ' CZ ' ' CB ' ' A' ' 104' ' ' ARG . 7.8 mtm-85 -65.17 -40.08 93.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.547 -1.345 . . . . 0.0 109.097 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -65.46 -39.74 92.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.93 -49.17 78.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 108.99 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.97 90.78 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.318 -0.864 . . . . 0.0 108.759 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.78 -40.09 91.28 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.613 -0.679 . . . . 0.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -68.28 -40.04 81.94 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.079 -1.013 . . . . 0.0 111.398 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -81.96 -8.93 59.7 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.8 tp -73.48 -49.08 6.8 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 120.798 -1.189 . . . . 0.0 111.747 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 46.3 Cg_endo -66.38 -26.08 48.44 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 CA-C-N 120.961 1.379 . . . . 0.0 112.639 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.38 -44.51 29.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.741 -1.225 . . . . 0.0 109.706 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -40.56 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.09 84.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.75 87.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.85 -43.4 94.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.112 -0.993 . . . . 0.0 109.122 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 85.9 tt0 -60.18 -41.55 93.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.058 -1.026 . . . . 0.0 110.068 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.6 mtp -72.76 -39.99 66.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.634 -1.291 . . . . 0.0 111.809 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.82 -40.01 96.06 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.001 -1.062 . . . . 0.0 111.051 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 5.5 p-10 -70.34 -12.65 61.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.8 -1.188 . . . . 0.0 109.328 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.5 0.27 50.39 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.099 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.49 24.21 76.64 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.0 mt -76.15 140.18 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.059 -1.26 . . . . 0.0 107.688 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -57.02 139.19 53.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.86 -1.15 . . . . 0.0 109.595 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -56.0 -42.27 76.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.328 -0.858 . . . . 0.0 110.218 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -59.87 -43.21 94.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.958 -1.089 . . . . 0.0 109.531 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -69.99 -44.29 69.68 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.817 -1.177 . . . . 0.0 109.761 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.66 76.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.22 -0.925 . . . . 0.0 110.388 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -68.22 -40.25 82.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.952 -1.093 . . . . 0.0 109.734 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.89 87.97 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.145 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 57.7 m -61.9 -45.65 92.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 0.0 109.716 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.17 -49.11 82.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.866 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.81 -35.94 79.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.449 -0.782 . . . . 0.0 109.325 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.21 -48.15 40.5 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.71 -41.6 71.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.962 -1.316 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.3 m-85 -101.0 136.29 41.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.453 -0.779 . . . . 0.0 109.499 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -82.49 65.19 7.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.733 -1.229 . . . . 0.0 108.949 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.04 159.88 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.305 -0.872 . . . . 0.0 109.441 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -72.64 129.1 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.052 -1.03 . . . . 0.0 109.882 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.04 87.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 t -67.65 -40.33 84.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.129 -0.982 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 60.2 m -61.04 -48.97 79.31 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.125 -0.985 . . . . 0.0 110.51 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.25 -41.41 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.269 -0.894 . . . . 0.0 110.375 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -59.92 -51.13 70.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 110.344 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.08 -40.14 92.56 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.808 -1.182 . . . . 0.0 111.059 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -68.61 -36.8 79.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.262 -0.899 . . . . 0.0 111.264 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.98 -47.73 84.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.772 -1.205 . . . . 0.0 109.335 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -61.1 -39.83 91.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.849 -1.157 . . . . 0.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.0 -40.13 88.14 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.887 -1.133 . . . . 0.0 111.049 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.72 -12.94 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.665 -1.272 . . . . 0.0 111.047 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -59.87 -33.26 71.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.112 . . . . 0.0 109.876 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.22 -24.53 61.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.943 . . . . 0.0 109.884 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -104.79 152.66 22.3 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.221 -0.924 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.9 45.89 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.402 -0.811 . . . . 0.0 110.519 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -49.46 -61.18 3.74 Favored Pre-proline 0 N--CA 1.487 1.42 0 O-C-N 121.625 -0.672 . . . . 0.0 110.783 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -30.45 -42.52 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.662 2.241 . . . . 0.0 114.46 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -88.87 0.42 56.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.749 -1.22 . . . . 0.0 111.271 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -57.8 -39.55 77.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.071 -1.018 . . . . 0.0 109.035 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.41 76.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.237 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.58 -38.26 48.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 110.345 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.21 80.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.195 -0.941 . . . . 0.0 110.458 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.57 -23.98 64.55 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.325 -0.86 . . . . 0.0 109.905 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 109.905 -179.325 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 122.024 0.916 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -68.75 -27.27 65.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -59.96 -40.21 88.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.228 -1.545 . . . . 0.0 108.914 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -61.13 -40.24 93.06 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.918 -1.114 . . . . 0.0 108.251 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -62.37 -44.63 96.02 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.698 -0.626 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 47.7 t0 -59.44 -39.75 84.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.027 -1.046 . . . . 0.0 109.194 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -81.83 -4.95 57.71 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 109.893 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.09 156.17 38.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.579 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -71.37 154.39 41.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.024 -1.047 . . . . 0.0 109.759 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.9 p-10 -58.56 -40.44 83.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 109.59 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.568 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 24.1 t -60.51 -40.79 92.66 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.893 -1.129 . . . . 0.0 110.509 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -65.26 -41.02 94.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -66.33 -40.22 89.74 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.625 -1.297 . . . . 0.0 109.612 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -64.22 -39.66 94.43 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.474 -0.767 . . . . 0.0 109.27 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.375 0.607 . . . . 0.0 110.199 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.63 90.42 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.883 -1.136 . . . . 0.0 109.019 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -40.15 88.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.743 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.32 -39.27 92.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.082 . . . . 0.0 110.006 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -84.1 -8.0 59.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.715 -0.615 . . . . 0.0 111.81 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 16.7 tp -73.58 -44.57 7.24 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.323 -1.485 . . . . 0.0 112.06 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.4 Cg_endo -68.6 -27.37 32.7 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 121.273 1.315 . . . . 0.0 113.542 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -39.91 59.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.909 -1.119 . . . . 0.0 109.707 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.42 -40.54 80.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.97 -1.082 . . . . 0.0 108.704 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -67.52 -41.5 84.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.308 -0.87 . . . . 0.0 108.804 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.68 97.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.337 -0.852 . . . . 0.0 110.092 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.63 93.67 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 0.0 110.329 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.34 -41.5 89.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.887 -1.133 . . . . 0.0 109.169 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.1 -39.73 93.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.646 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.8 mmt -64.62 -40.41 95.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.788 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.05 -39.7 93.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.751 -1.218 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.81 -20.72 63.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.093 -1.005 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -78.46 -4.02 46.34 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.07 20.02 77.63 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.552 -1.309 . . . . 0.0 110.883 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.428 HD11 HG22 ' A' ' 125' ' ' ILE . 72.5 mt -77.7 140.92 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.998 -1.295 . . . . 0.0 108.436 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 m -51.2 141.18 15.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.475 -0.765 . . . . 0.0 109.971 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -57.33 -43.88 83.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.238 -0.913 . . . . 0.0 110.043 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.06 -46.97 86.9 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.069 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 91.0 m -67.88 -40.66 83.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.781 -1.199 . . . . 0.0 108.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.36 58.86 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.127 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -70.07 -40.23 75.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.6 93.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.828 -0.545 . . . . 0.0 109.582 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.2 m -62.27 -42.3 99.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.038 -1.039 . . . . 0.0 109.473 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.47 -49.33 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.407 -0.808 . . . . 0.0 109.212 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.3 65.95 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.172 -0.955 . . . . 0.0 108.581 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.94 -43.49 57.83 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 107.799 -2.12 . . . . 0.0 107.799 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -80.01 -52.22 8.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.188 -1.183 . . . . 0.0 109.318 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -91.28 131.11 37.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.584 -0.697 . . . . 0.0 109.341 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -83.73 68.86 10.05 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.742 -1.224 . . . . 0.0 109.364 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -131.17 160.12 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.457 -0.777 . . . . 0.0 109.049 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.3 t -71.42 129.52 39.01 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.276 -0.89 . . . . 0.0 109.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.85 97.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 110.125 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.1 m -60.88 -40.07 91.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 110.227 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.38 -46.87 78.4 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.17 -45.22 93.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.473 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -60.07 -48.22 82.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.372 -0.83 . . . . 0.0 111.104 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 52.1 t0 -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.927 -1.108 . . . . 0.0 110.101 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -69.27 -35.77 76.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.629 -1.294 . . . . 0.0 111.191 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.723 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.403 ' O ' ' CG ' ' A' ' 153' ' ' GLN . 47.0 m-85 -62.46 -38.86 91.42 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.241 -0.912 . . . . 0.0 109.769 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.77 -39.69 85.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.049 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -77.45 -10.3 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.524 -1.36 . . . . 0.0 110.857 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.483 HE21 ' C ' ' A' ' 153' ' ' GLN . 0.0 OUTLIER -57.84 -28.91 64.54 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.894 -1.129 . . . . 0.0 110.436 -179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.36 -9.48 59.6 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.178 -0.951 . . . . 0.0 109.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -111.08 142.65 42.96 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.28 -0.887 . . . . 0.0 110.372 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -55.89 144.16 29.11 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 24.1 mmtm -50.13 -42.87 74.79 Favored Pre-proline 0 N--CA 1.506 2.342 0 O-C-N 120.917 -1.115 . . . . 0.0 111.055 -177.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 15.7 Cg_exo -69.02 -26.56 30.94 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.441 2.094 . . . . 0.0 112.234 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -87.28 -5.78 58.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.045 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -52.94 -24.32 9.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.164 -0.96 . . . . 0.0 109.617 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.16 90.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.827 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.69 -30.4 59.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 109.425 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.588 -0.695 . . . . 0.0 110.006 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.97 -38.72 86.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.88 -1.138 . . . . 0.0 109.879 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.312 -0.868 . . . . 0.0 109.967 -179.513 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.448 0.642 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -67.92 -30.3 69.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 111.042 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.9 t -60.0 -40.35 88.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.271 -1.518 . . . . 0.0 108.541 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' A' ' 95' ' ' LYS . 4.1 ttmp? -60.44 -41.78 94.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.929 -1.107 . . . . 0.0 108.566 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CE3' ' NH1' ' A' ' 104' ' ' ARG . 2.9 t-105 -64.07 -45.45 88.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.844 0.831 . . . . 0.0 109.114 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.08 -39.34 85.72 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 109.001 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.67 -0.06 56.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.896 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.54 160.75 32.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 109.693 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.7 t -70.07 146.25 51.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.144 -0.973 . . . . 0.0 109.348 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.0 -40.72 90.2 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.198 -0.938 . . . . 0.0 110.739 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.9 p -60.06 -39.87 87.47 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 109.815 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' HB3' HH21 ' A' ' 104' ' ' ARG . 23.2 mm100 -61.07 -36.89 80.83 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 104' ' ' ARG . 2.7 mmp_? -59.91 -43.07 95.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.142 -0.974 . . . . 0.0 109.199 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -60.6 -41.71 95.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.942 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.98 -49.12 78.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 109.171 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.85 95.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.96 -1.088 . . . . 0.0 108.95 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.66 -40.15 90.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.909 . . . . 0.0 109.963 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.06 -39.92 96.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 111.09 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.479 ' CE3' ' CE ' ' A' ' 148' ' ' LYS . 66.4 m95 -80.79 -9.95 59.77 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.15 -0.969 . . . . 0.0 111.434 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 13.5 tp -72.51 -46.25 9.96 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.415 -1.428 . . . . 0.0 112.232 -178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 33.7 Cg_endo -62.72 -25.13 74.89 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 CA-C-N 120.864 1.344 . . . . 0.0 112.72 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.6 -40.05 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.826 -1.171 . . . . 0.0 110.831 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.87 -47.77 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.061 . . . . 0.0 109.58 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -68.9 -39.92 79.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.882 -1.136 . . . . 0.0 109.737 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.39 95.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.6 91.39 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.528 -0.733 . . . . 0.0 109.208 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.91 -45.83 91.3 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.36 -0.837 . . . . 0.0 109.403 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.7 mt-10 -62.36 -39.97 94.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.7 mtt -70.11 -39.99 75.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.912 . . . . 0.0 110.955 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.89 -39.97 96.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.27 -0.894 . . . . 0.0 110.911 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 44.3 p30 -65.65 -19.72 66.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 110.142 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.548 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 24.8 tt0 -76.77 4.5 9.52 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.776 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 20.75 79.94 Favored Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.159 -0.963 . . . . 0.0 111.276 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 125' ' ' ILE . 94.0 mt -76.92 145.76 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.852 -1.381 . . . . 0.0 109.379 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -59.88 142.36 53.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 p -58.46 -44.87 89.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.99 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -59.98 -45.07 93.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.915 -1.116 . . . . 0.0 109.826 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.2 m -66.12 -44.44 84.24 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.788 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.89 66.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.64 -0.662 . . . . 0.0 110.314 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -66.1 -39.96 90.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.041 -1.037 . . . . 0.0 109.583 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.045 -1.035 . . . . 0.0 109.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.8 m -64.63 -42.42 95.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.035 -1.041 . . . . 0.0 110.07 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.69 -45.51 98.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.192 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.08 -28.64 68.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.209 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.27 -50.1 23.35 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -73.6 -41.76 62.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.004 -1.292 . . . . 0.0 109.076 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.3 m-85 -99.33 134.18 42.57 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.211 -0.931 . . . . 0.0 109.633 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -84.23 63.67 7.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.946 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.24 159.03 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.558 -0.714 . . . . 0.0 109.218 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 m -72.82 129.61 38.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.482 -0.761 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.41 -0.806 . . . . 0.0 109.698 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.5 m -60.73 -40.14 91.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.066 -1.021 . . . . 0.0 110.363 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 m -66.17 -44.56 83.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.104 -0.998 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -40.44 88.83 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.296 -0.878 . . . . 0.0 110.198 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -60.06 -47.32 86.37 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.743 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -60.05 -41.21 91.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.805 -1.184 . . . . 0.0 110.9 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.479 ' CE ' ' CE3' ' A' ' 110' ' ' TRP . 15.7 mtmm -69.92 -38.39 76.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 111.796 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -59.83 -41.63 91.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.788 -1.195 . . . . 0.0 110.651 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -71.35 -37.92 71.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.728 -1.233 . . . . 0.0 109.155 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -40.6 95.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.561 -0.712 . . . . 0.0 110.994 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -80.74 -12.0 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.315 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.67 -38.8 82.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.159 -0.963 . . . . 0.0 109.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -77.5 -9.22 58.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.002 -1.061 . . . . 0.0 109.907 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.48 152.63 22.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.136 -0.977 . . . . 0.0 110.269 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.91 139.13 57.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.547 -0.721 . . . . 0.0 109.512 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.3 ttpt -52.44 -46.63 94.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.321 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 37.3 Cg_exo -59.75 -36.85 90.31 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.175 1.917 . . . . 0.0 113.094 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.44 0.8 27.89 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.029 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -58.06 -39.89 79.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.964 -1.085 . . . . 0.0 109.184 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.96 73.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.925 -1.109 . . . . 0.0 109.581 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.92 -31.04 58.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.275 -0.891 . . . . 0.0 109.89 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.37 71.29 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.431 -0.793 . . . . 0.0 110.761 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.41 -9.33 58.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 110.95 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.496 1.855 0 O-C-N 120.801 -1.187 . . . . 0.0 109.923 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.812 0.815 . . . . 0.0 108.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -68.18 -27.29 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 0.0 109.43 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -58.4 -40.0 81.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 118.627 -1.229 . . . . 0.0 107.796 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HZ1' HG13 ' A' ' 165' ' ' VAL . 44.8 tttm -63.14 -41.39 99.28 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.05 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -60.25 -46.21 90.59 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.92 . . . . 0.0 109.096 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.537 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -87.53 -5.51 58.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.733 . . . . 0.0 109.935 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.23 148.27 51.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 109.872 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 166.92 22.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.551 -0.718 . . . . 0.0 109.442 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -59.95 -39.38 85.4 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.467 -0.771 . . . . 0.0 111.709 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.158 -0.964 . . . . 0.0 110.778 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.561 ' N ' ' OE1' ' A' ' 103' ' ' GLN . 23.0 mp0 -67.17 -40.24 86.58 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.841 -1.162 . . . . 0.0 110.005 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -66.4 -40.21 89.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 0.0 109.46 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.21 -40.66 82.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.098 -1.001 . . . . 0.0 109.23 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 tp -66.99 -50.41 62.33 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.05 -1.031 . . . . 0.0 109.602 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.82 92.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.057 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.62 -40.52 97.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.548 -0.72 . . . . 0.0 110.468 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.0 -38.97 83.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.43 -0.794 . . . . 0.0 110.251 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -81.17 -9.2 59.83 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.284 -0.885 . . . . 0.0 111.743 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 15.4 tp -75.81 -46.53 4.0 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 120.359 -1.463 . . . . 0.0 111.879 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 51.1 Cg_endo -66.19 -24.29 51.6 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 CA-C-N 120.805 1.323 . . . . 0.0 111.648 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.1 59.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.03 -1.044 . . . . 0.0 110.018 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.1 -40.16 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.856 -1.153 . . . . 0.0 109.486 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.22 -40.57 86.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.577 -0.702 . . . . 0.0 110.479 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 120' ' ' MET . . . -61.79 -40.04 93.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.315 -0.865 . . . . 0.0 109.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.01 92.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.27 -40.26 85.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.02 -1.05 . . . . 0.0 110.128 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.481 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.8 mt-10 -61.61 -49.82 75.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.809 -1.182 . . . . 0.0 110.251 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -71.62 -40.38 69.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.791 -1.193 . . . . 0.0 111.84 -179.25 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.47 -39.79 95.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.778 -1.201 . . . . 0.0 111.821 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 49.5 p30 -69.93 -17.25 63.32 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.667 -1.271 . . . . 0.0 109.318 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.509 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 42.7 tp60 -80.92 -2.49 47.82 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.561 -0.712 . . . . 0.0 109.621 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.2 79.63 Favored Glycine 0 N--CA 1.493 2.471 0 O-C-N 120.737 -1.227 . . . . 0.0 110.857 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.62 151.38 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.954 -1.321 . . . . 0.0 108.512 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -49.77 134.79 20.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 109.404 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -59.29 -42.98 92.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -0.874 . . . . 0.0 109.945 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -59.97 -43.23 95.2 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.42 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m -69.41 -42.1 75.52 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.812 -1.18 . . . . 0.0 109.014 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.07 69.51 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.507 -0.745 . . . . 0.0 109.231 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.403 -0.81 . . . . 0.0 109.04 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.4 m -62.51 -41.47 98.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.92 -1.113 . . . . 0.0 109.198 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.16 -47.94 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.192 -0.942 . . . . 0.0 109.316 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -62.62 -36.43 82.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.583 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.8 -49.18 37.36 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -69.51 -40.72 76.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.891 -1.358 . . . . 0.0 109.734 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.503 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.2 m-85 -106.65 135.64 47.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.439 -0.788 . . . . 0.0 109.535 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.33 63.12 4.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.907 -1.121 . . . . 0.0 109.609 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.67 153.87 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.1 m -73.89 127.99 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.315 -0.865 . . . . 0.0 110.63 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.04 88.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.559 -0.713 . . . . 0.0 110.486 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.554 ' HG ' ' N ' ' A' ' 144' ' ' THR . 95.2 p -63.95 -40.84 97.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.95 -1.094 . . . . 0.0 110.402 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.554 ' N ' ' HG ' ' A' ' 143' ' ' SER . 55.4 m -67.69 -43.98 78.83 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.14 -0.975 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.06 -39.77 87.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.252 -0.905 . . . . 0.0 109.931 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -58.58 -48.61 80.38 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.151 -0.968 . . . . 0.0 109.626 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.32 -42.48 95.67 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.863 -1.148 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.34 -34.72 75.05 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.81 -1.181 . . . . 0.0 111.067 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -60.08 -48.88 79.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.293 -0.88 . . . . 0.0 110.368 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.48 -38.15 77.57 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.127 -0.983 . . . . 0.0 109.115 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -60.33 -39.83 88.48 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.21 -0.931 . . . . 0.0 111.665 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.2 -12.33 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 120.296 -1.502 . . . . 0.0 111.649 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.37 -32.01 69.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.113 -0.992 . . . . 0.0 109.567 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -79.24 -10.32 59.79 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.019 -1.051 . . . . 0.0 109.761 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -107.33 150.61 26.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.95 -1.094 . . . . 0.0 110.018 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 139.35 57.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.636 -0.665 . . . . 0.0 110.04 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 15.4 mtmm -52.59 -50.96 77.61 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.221 -0.924 . . . . 0.0 111.87 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -59.44 -22.97 68.51 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.407 1.404 . . . . 0.0 112.684 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -87.82 -1.2 57.82 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.759 -1.213 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.01 -40.28 88.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.232 -0.917 . . . . 0.0 109.84 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.49 93.13 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.984 -1.072 . . . . 0.0 110.634 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -31.58 59.43 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 109.554 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.71 85.39 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.092 -1.005 . . . . 0.0 109.649 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.68 -9.03 58.18 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.022 -1.049 . . . . 0.0 110.687 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.437 HG13 ' HZ1' ' A' ' 95' ' ' LYS . 69.6 t . . . . . 0 N--CA 1.494 1.729 0 O-C-N 120.808 -1.182 . . . . 0.0 109.261 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.8 tp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.42 -28.68 65.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 110.499 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.56 -40.04 86.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.705 -1.247 . . . . 0.0 107.839 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -60.63 -43.82 97.07 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.4 t-105 -62.01 -50.81 70.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.559 -0.713 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 56.5 t0 -56.64 -38.15 71.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.461 -0.775 . . . . 0.0 109.782 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -83.15 -4.26 58.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.201 -0.937 . . . . 0.0 109.409 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.54 156.42 38.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.309 -0.87 . . . . 0.0 109.734 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 t -75.1 162.8 28.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 109.742 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.6 -40.0 90.18 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -60.39 -37.68 81.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.302 -0.874 . . . . 0.0 110.084 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.15 -39.97 88.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.109 -0.994 . . . . 0.0 109.407 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -65.97 -41.8 90.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.965 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -61.83 -43.88 97.95 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 109.973 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.73 -50.12 75.07 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.02 97.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -40.1 87.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.439 0.637 . . . . 0.0 109.692 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.72 -40.43 95.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.341 -0.849 . . . . 0.0 110.636 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -82.72 -7.51 59.65 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.875 -1.141 . . . . 0.0 112.026 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 20.9 tp -73.19 -45.69 8.04 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.452 -1.405 . . . . 0.0 112.583 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -68.88 -24.7 33.61 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.299 1.333 . . . . 0.0 112.291 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.71 -44.39 33.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 108.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.33 -42.61 84.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.281 -0.887 . . . . 0.0 108.733 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.91 -40.52 83.4 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.64 95.33 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 47.6 t0 -59.85 -41.31 91.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.6 -40.11 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 109.258 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mmm -69.1 -40.34 78.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.47 -0.769 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.13 -40.15 90.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.164 -0.96 . . . . 0.0 109.137 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -61.04 -38.57 86.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.269 -0.895 . . . . 0.0 109.695 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.82 -3.52 16.02 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.342 -0.848 . . . . 0.0 108.822 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 69.63 31.96 70.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.0 mt -79.27 148.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.196 -1.179 . . . . 0.0 109.045 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -52.92 139.69 26.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.61 -1.306 . . . . 0.0 109.893 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 p -57.87 -43.5 86.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.666 -0.646 . . . . 0.0 110.006 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.0 -43.69 95.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.125 -0.984 . . . . 0.0 109.59 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.8 m -69.73 -41.53 75.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.383 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.18 70.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.857 -0.527 . . . . 0.0 110.163 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -69.7 -38.52 77.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.023 -1.048 . . . . 0.0 109.705 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.39 98.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.923 -1.11 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.9 m -63.64 -44.44 93.84 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.69 -1.256 . . . . 0.0 108.903 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.67 -46.46 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.431 -0.793 . . . . 0.0 109.216 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.21 -35.78 76.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.426 -0.796 . . . . 0.0 109.776 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.56 -50.04 27.76 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -69.57 -42.12 74.93 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.188 -1.184 . . . . 0.0 109.598 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.0 m-85 -103.23 138.21 40.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.84 . . . . 0.0 110.755 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -84.51 61.18 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.975 -1.078 . . . . 0.0 109.299 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.9 158.7 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.723 . . . . 0.0 109.99 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.0 m -75.26 131.87 40.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.702 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.56 90.02 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.08 -1.013 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.2 p -63.71 -40.02 95.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 110.409 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.5 m -65.02 -47.03 78.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.992 . . . . 0.0 110.282 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.59 -39.81 81.42 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.734 -0.603 . . . . 0.0 109.616 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -59.12 -47.97 83.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 109.947 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -60.41 -41.54 94.11 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.969 -1.082 . . . . 0.0 110.037 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.97 -34.23 74.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.1 -46.8 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.81 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -66.7 -30.93 71.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.053 -1.03 . . . . 0.0 109.287 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.92 -40.19 88.04 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.077 -1.014 . . . . 0.0 111.393 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.17 -12.72 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 111.369 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.72 -38.1 80.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.7 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -74.33 -8.85 57.65 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.505 -0.747 . . . . 0.0 109.695 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.68 141.61 45.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.527 -0.733 . . . . 0.0 109.665 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.469 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.64 146.04 50.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.612 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 6.7 mtmt -50.47 -50.02 74.19 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 120.707 -1.245 . . . . 0.0 110.97 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 71.8 Cg_exo -49.68 -41.77 44.85 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.248 1.965 . . . . 0.0 113.877 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 p-10 -89.1 5.54 44.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.646 -1.284 . . . . 0.0 111.021 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.44 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -56.36 -40.08 73.93 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.812 -1.18 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.19 80.45 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.85 -1.156 . . . . 0.0 109.979 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -79.13 -22.84 44.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.998 -1.064 . . . . 0.0 110.2 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.53 79.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.03 -1.044 . . . . 0.0 111.239 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.13 1.98 8.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.376 -0.827 . . . . 0.0 111.206 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 32.0 m . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.517 -1.364 . . . . 0.0 109.741 -179.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.617 0.722 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -67.99 -28.92 67.85 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.87 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -60.47 -40.23 90.51 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.137 -1.602 . . . . 0.0 108.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.47 -43.18 97.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.89 -40.15 87.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.515 -0.741 . . . . 0.0 110.07 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -87.72 -1.04 57.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.093 -1.004 . . . . 0.0 109.66 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.6 46.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.166 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -70.25 159.14 34.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.751 . . . . 0.0 109.949 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 102' ' ' SER . 35.1 p-10 -59.89 -39.12 84.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.733 -0.604 . . . . 0.0 109.923 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 55.4 m -60.13 -40.21 88.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.65 -1.281 . . . . 0.0 110.059 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -65.09 -40.8 95.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 109.814 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 85.1 mtm180 -69.65 -40.26 76.59 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.328 -0.857 . . . . 0.0 109.762 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 105' ' ' ARG . 15.2 ttt-85 -62.5 -41.46 98.85 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.343 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.56 -46.85 88.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.384 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.666 -1.271 . . . . 0.0 108.57 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.9 -38.04 81.12 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.18 -38.39 85.31 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.222 -0.924 . . . . 0.0 110.512 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -87.07 -8.15 57.36 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 18.6 tp -74.87 -36.97 2.51 Favored Pre-proline 0 N--CA 1.509 2.479 0 O-C-N 119.474 -2.016 . . . . 0.0 111.84 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 20.2 Cg_exo -64.95 -33.3 52.31 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.677 2.252 . . . . 0.0 111.592 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.02 52.49 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.288 -0.882 . . . . 0.0 110.256 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 t -70.15 -41.03 78.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.719 -1.238 . . . . 0.0 109.12 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.56 -41.92 92.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.267 -0.895 . . . . 0.0 109.843 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.5 92.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.538 -0.726 . . . . 0.0 109.775 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.24 91.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.473 -0.767 . . . . 0.0 110.439 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 122' ' ' ASN . 39.2 t0 -59.77 -40.2 87.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.768 -1.207 . . . . 0.0 108.895 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.63 -40.37 95.33 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.196 -0.94 . . . . 0.0 110.582 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.9 mmt -72.68 -40.12 66.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.117 -0.99 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.21 -40.04 96.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.319 -0.863 . . . . 0.0 110.085 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.408 ' OD1' ' OD1' ' A' ' 118' ' ' ASP . 17.3 m120 -65.19 -26.26 68.07 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.07 -1.019 . . . . 0.0 109.544 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -77.82 -0.3 26.69 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.5 28.3 65.88 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.51 141.66 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.81 -1.406 . . . . 0.0 108.922 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 p -53.01 138.91 29.38 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.92 0.867 . . . . 0.0 109.505 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.3 p -59.62 -41.31 90.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.248 -0.907 . . . . 0.0 110.616 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.11 -46.19 88.97 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.112 -0.992 . . . . 0.0 109.467 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.3 m -69.15 -40.99 77.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.48 69.35 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.297 -0.877 . . . . 0.0 110.518 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.84 -39.5 79.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.685 -1.259 . . . . 0.0 108.773 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.6 73.08 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.862 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -40.05 88.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.81 -1.181 . . . . 0.0 109.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.34 -42.5 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.2 -31.92 73.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.11 -0.994 . . . . 0.0 109.35 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.07 13.51 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -66.16 -42.22 89.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.4 m-85 -104.7 127.16 52.39 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.569 0.7 . . . . 0.0 109.815 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 70.75 7.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.808 -1.183 . . . . 0.0 109.475 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.51 158.16 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.5 m -68.74 127.3 32.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.247 -0.908 . . . . 0.0 108.754 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.06 87.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.527 -0.733 . . . . 0.0 109.322 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.437 ' HG ' ' N ' ' A' ' 144' ' ' THR . 89.5 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.968 -0.457 . . . . 0.0 110.84 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.437 ' N ' ' HG ' ' A' ' 143' ' ' SER . 79.3 m -64.07 -49.79 70.9 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.204 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.84 -40.43 88.47 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.354 -0.841 . . . . 0.0 109.709 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -60.27 -49.98 75.46 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.18 -40.77 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.728 -1.232 . . . . 0.0 109.552 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.45 -37.96 88.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.369 -0.832 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.74 -47.62 84.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.017 -1.052 . . . . 0.0 110.693 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -66.55 -38.98 88.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.17 -0.956 . . . . 0.0 110.03 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.59 -40.99 93.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.906 -1.121 . . . . 0.0 111.434 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.35 -13.1 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.269 -0.894 . . . . 0.0 111.015 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -58.53 -38.72 78.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.829 -1.169 . . . . 0.0 108.479 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -74.91 -6.4 49.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.625 -0.672 . . . . 0.0 109.746 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -109.09 149.27 29.55 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.62 139.4 57.23 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 88.0 mttt -57.24 -40.2 82.98 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.064 -1.022 . . . . 0.0 111.674 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.0 Cg_exo -62.61 -28.47 77.07 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 121.722 1.615 . . . . 0.0 112.177 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -87.27 -2.28 58.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.297 -0.877 . . . . 0.0 109.3 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -60.13 -39.85 87.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.995 . . . . 0.0 109.762 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.04 90.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.919 -1.113 . . . . 0.0 109.016 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.05 39.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.935 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.38 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.924 -1.11 . . . . 0.0 110.715 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.01 -19.1 61.91 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.14 -0.975 . . . . 0.0 111.632 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.496 1.84 0 O-C-N 120.553 -1.342 . . . . 0.0 109.476 -179.353 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -67.22 -31.33 71.63 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.8 t -60.34 -41.07 92.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.444 -1.41 . . . . 0.0 108.34 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -60.35 -40.3 90.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.191 -0.943 . . . . 0.0 108.988 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.401 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 12.1 t-105 -61.36 -54.18 47.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.88 87.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.392 -0.817 . . . . 0.0 108.937 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.72 -1.29 50.95 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.408 -0.807 . . . . 0.0 109.499 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.87 42.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.089 -1.007 . . . . 0.0 109.73 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.6 m -74.2 164.85 26.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.168 -0.958 . . . . 0.0 110.024 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.08 -40.67 90.34 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.357 -0.839 . . . . 0.0 110.208 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.3 m -60.17 -39.99 88.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 109.208 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.17 -39.92 94.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.259 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -63.79 -43.83 95.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.571 -0.706 . . . . 0.0 109.143 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -64.91 -40.23 94.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.08 -50.69 72.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.976 -1.078 . . . . 0.0 109.208 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.941 -1.1 . . . . 0.0 108.701 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.27 -38.39 89.11 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.375 -0.828 . . . . 0.0 109.125 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.9 -39.84 94.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 111.826 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -88.91 -4.39 58.47 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.134 -0.979 . . . . 0.0 113.388 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 17.4 tp -77.92 -36.08 1.32 Allowed Pre-proline 0 N--CA 1.509 2.506 0 O-C-N 119.642 -1.911 . . . . 0.0 112.351 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 22.8 Cg_exo -64.08 -35.81 51.57 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.67 2.247 . . . . 0.0 112.107 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.76 -41.54 44.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.681 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.9 -45.68 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.725 -1.235 . . . . 0.0 109.114 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -62.21 -45.24 94.23 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 109.39 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.35 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.498 -0.751 . . . . 0.0 108.981 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.41 84.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.561 -0.712 . . . . 0.0 109.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 30.9 t0 -57.9 -46.72 84.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.609 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 48.9 mt-10 -63.0 -40.02 96.52 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.037 -1.039 . . . . 0.0 109.902 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.6 mtp -70.08 -40.14 75.18 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.44 -40.04 94.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 46.6 p30 -65.44 -15.96 63.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.597 -1.315 . . . . 0.0 110.5 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.423 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 56.9 tt0 -80.07 -4.23 51.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.014 -1.054 . . . . 0.0 109.363 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.09 25.21 64.59 Favored Glycine 0 N--CA 1.496 2.662 0 O-C-N 120.943 -1.098 . . . . 0.0 110.944 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.31 146.27 8.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.78 -1.424 . . . . 0.0 108.977 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -54.48 140.12 35.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.77 -1.206 . . . . 0.0 109.906 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -59.0 -42.43 90.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.493 -0.754 . . . . 0.0 109.911 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.189 -0.944 . . . . 0.0 110.027 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.9 m -67.47 -44.05 79.53 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.069 -1.02 . . . . 0.0 109.168 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.0 75.34 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.064 -1.022 . . . . 0.0 110.655 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.9 -39.44 83.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.45 -1.406 . . . . 0.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.42 86.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.093 -1.005 . . . . 0.0 109.285 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 99.1 m -61.34 -47.02 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.955 . . . . 0.0 110.187 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.88 -47.22 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.112 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.25 -28.15 69.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.839 -1.163 . . . . 0.0 109.018 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.9 -49.61 22.08 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 119.055 -1.545 . . . . 0.0 109.454 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -71.95 -39.98 68.99 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.981 -1.305 . . . . 0.0 109.026 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.7 m-85 -99.1 135.57 40.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -82.8 67.03 8.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.457 -0.777 . . . . 0.0 109.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.65 158.05 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.752 . . . . 0.0 109.089 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 t -72.45 130.33 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.489 -0.757 . . . . 0.0 109.75 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.27 87.84 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.431 -0.793 . . . . 0.0 109.726 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 70.4 p -65.32 -39.92 93.05 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.2 -0.938 . . . . 0.0 110.336 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 61.9 m -63.21 -50.08 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.827 -1.171 . . . . 0.0 108.825 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.94 -40.49 89.14 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.452 -0.78 . . . . 0.0 109.348 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -60.36 -49.68 76.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 110.023 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -40.47 90.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.907 -1.121 . . . . 0.0 110.363 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -68.35 -37.2 80.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.272 -0.893 . . . . 0.0 111.487 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.72 -48.76 80.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.71 -1.244 . . . . 0.0 109.914 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -69.87 -33.39 72.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.251 -0.906 . . . . 0.0 109.775 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -60.07 -41.97 93.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.771 -1.206 . . . . 0.0 111.06 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.21 -10.03 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.768 -1.208 . . . . 0.0 111.511 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.62 -40.12 74.81 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -76.43 -7.02 54.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.085 -1.009 . . . . 0.0 109.583 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -106.9 148.73 28.24 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.401 -0.812 . . . . 0.0 110.023 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.536 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -70.92 150.21 45.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.404 -0.81 . . . . 0.0 110.226 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 43.2 mttm -52.04 -53.29 53.5 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.589 -0.694 . . . . 0.0 110.806 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 18.1 Cg_endo -58.64 -28.38 86.02 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.091 1.194 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 48.3 t0 -82.43 -19.06 39.74 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.763 -0.586 . . . . 0.0 109.826 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.536 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 44.7 m0 -54.14 -38.4 65.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.734 -1.229 . . . . 0.0 109.785 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.68 82.1 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.791 -1.193 . . . . 0.0 108.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.68 -38.39 47.59 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.445 -0.785 . . . . 0.0 109.566 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.27 81.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.039 -1.038 . . . . 0.0 111.056 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.64 -15.93 63.68 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.985 . . . . 0.0 111.27 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.495 1.81 0 O-C-N 120.746 -1.221 . . . . 0.0 109.393 -179.625 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.498 0.666 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -69.82 -33.82 72.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.717 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.5 m -60.05 -40.29 88.9 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.119 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.44 -39.52 87.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.238 -0.914 . . . . 0.0 109.546 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -59.25 -44.24 92.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 108.965 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.47 -39.65 76.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.398 -0.814 . . . . 0.0 109.634 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -88.88 -2.98 58.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.127 -0.983 . . . . 0.0 110.016 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.85 160.81 27.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.089 -1.007 . . . . 0.0 108.995 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -70.0 151.93 45.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.149 -0.969 . . . . 0.0 109.278 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 7.9 t70 -60.05 -41.76 93.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 110.048 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -60.01 -39.98 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.012 -1.055 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.28 -39.96 88.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.058 -1.027 . . . . 0.0 110.211 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.5 mtm180 -68.2 -40.08 82.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.176 . . . . 0.0 109.438 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -66.53 -39.88 88.85 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.094 -1.004 . . . . 0.0 109.192 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.13 -46.49 88.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.934 -1.104 . . . . 0.0 108.06 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.15 93.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.989 -1.069 . . . . 0.0 109.147 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.38 -40.07 92.97 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.82 -40.99 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.488 -0.757 . . . . 0.0 110.898 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.25 -5.37 58.48 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.894 -1.129 . . . . 0.0 110.345 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 7.3 tp -73.38 -47.12 7.65 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 120.679 -1.263 . . . . 0.0 112.455 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 42.3 Cg_endo -64.03 -20.47 67.73 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 120.856 1.341 . . . . 0.0 111.598 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.19 18.1 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.028 -1.045 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 45.6 t -69.19 -42.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.142 -0.974 . . . . 0.0 110.676 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.79 -38.46 89.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.904 -1.122 . . . . 0.0 110.626 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.42 94.68 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.906 -1.121 . . . . 0.0 109.687 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.08 88.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 110.045 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.93 -40.56 89.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.914 -1.116 . . . . 0.0 109.257 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 76.5 tt0 -60.61 -43.37 97.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 108.72 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.4 mmm -70.66 -40.49 72.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.61 -0.681 . . . . 0.0 110.807 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.0 mt -68.19 -38.45 82.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.987 -1.071 . . . . 0.0 110.882 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 122' ' ' ASN . 42.6 p30 -68.97 -13.5 62.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.81 -1.181 . . . . 0.0 109.821 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.415 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 53.0 tt0 -93.33 7.37 44.7 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.83 28.39 60.97 Favored Glycine 0 N--CA 1.491 2.307 0 O-C-N 121.391 -0.818 . . . . 0.0 111.968 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.9 mm -80.48 140.07 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.92 -1.341 . . . . 0.0 108.48 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -55.62 138.53 46.86 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 108.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -56.17 -42.93 77.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -0.867 . . . . 0.0 109.738 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.07 -1.019 . . . . 0.0 108.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.7 m -66.14 -41.1 90.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.275 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.23 60.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.301 -0.874 . . . . 0.0 110.223 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -68.66 -39.48 80.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 109.419 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.31 93.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.832 -1.168 . . . . 0.0 109.021 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 96.2 m -61.62 -44.83 96.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.551 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.57 -45.47 78.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.654 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.67 -29.38 70.38 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.32 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.73 -48.6 21.45 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -70.08 -40.57 74.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -1.175 . . . . 0.0 109.296 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.492 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.8 m-85 -99.32 139.4 35.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.189 -0.945 . . . . 0.0 108.946 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -83.58 62.81 7.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.705 -1.247 . . . . 0.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.97 147.06 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.3 p -70.15 137.65 51.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.471 -0.768 . . . . 0.0 109.977 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.11 92.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.987 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.1 p -61.45 -40.11 93.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.163 -0.961 . . . . 0.0 110.093 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -66.61 -51.4 56.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.352 -0.843 . . . . 0.0 109.866 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.59 -42.19 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.692 0.758 . . . . 0.0 109.197 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -60.08 -49.81 76.19 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.536 -0.728 . . . . 0.0 110.239 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -62.17 -41.47 98.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.124 -0.985 . . . . 0.0 110.676 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -68.47 -38.38 81.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.555 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -59.16 -44.08 92.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.335 -0.853 . . . . 0.0 110.397 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.71 -39.34 76.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.407 -1.433 . . . . 0.0 109.22 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.05 -40.75 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.533 -0.729 . . . . 0.0 111.565 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.62 -13.34 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.622 -1.299 . . . . 0.0 110.556 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -58.73 -39.02 79.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.107 -0.996 . . . . 0.0 108.841 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.15 -9.53 58.7 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.27 -0.894 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.86 149.44 26.53 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.303 -0.873 . . . . 0.0 110.051 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.42 149.39 50.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.574 . . . . 0.0 109.64 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 28.5 mmtm -49.61 -50.02 69.0 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.288 -0.883 . . . . 0.0 111.269 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 42.2 Cg_endo -63.84 -24.08 68.34 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 CA-C-N 120.967 1.381 . . . . 0.0 112.044 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -81.59 -8.21 59.69 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -59.88 -40.1 87.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.951 -1.093 . . . . 0.0 109.896 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.49 90.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.098 -1.001 . . . . 0.0 109.784 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.91 61.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.429 -0.794 . . . . 0.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.47 79.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.145 -0.972 . . . . 0.0 111.131 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.09 -4.45 35.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.964 -1.085 . . . . 0.0 111.04 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.489 1.486 0 O-C-N 120.615 -1.303 . . . . 0.0 109.884 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.547 0.689 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -69.33 -39.79 77.99 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 m -59.71 -40.32 87.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.834 -1.166 . . . . 0.0 110.124 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -60.48 -40.68 92.17 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.466 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -61.47 -47.39 85.9 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.802 -1.186 . . . . 0.0 108.211 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 50.4 t0 -57.08 -36.88 71.11 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.577 -0.702 . . . . 0.0 109.459 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.55 -7.14 59.65 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.183 -0.948 . . . . 0.0 109.662 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.05 151.56 44.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -71.66 154.4 41.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.45 -0.781 . . . . 0.0 110.439 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.22 -40.4 90.04 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 110.177 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -60.08 -40.42 89.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.138 -0.976 . . . . 0.0 109.985 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.2 -40.16 95.49 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.557 -1.339 . . . . 0.0 108.923 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.0 mtt180 -64.28 -40.01 95.11 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.606 -0.683 . . . . 0.0 109.763 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 105' ' ' ARG . 4.0 mmt-85 -60.25 -41.7 93.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.999 -1.063 . . . . 0.0 109.933 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.84 -46.9 88.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.273 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.64 94.73 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.26 -0.9 . . . . 0.0 109.923 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.04 -39.38 85.72 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.534 -0.729 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.71 -39.9 94.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.851 -1.156 . . . . 0.0 110.611 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.491 ' CE3' ' NZ ' ' A' ' 148' ' ' LYS . 75.4 m95 -81.9 -9.66 59.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.403 -0.811 . . . . 0.0 111.795 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 18.1 tp -74.59 -45.76 5.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.398 -1.439 . . . . 0.0 112.323 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 61.3 Cg_endo -67.78 -24.42 40.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.992 1.39 . . . . 0.0 112.146 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.73 59.36 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.71 -1.244 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.88 -40.65 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.995 -1.065 . . . . 0.0 108.966 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.9 mm-40 -66.25 -40.15 89.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.551 -0.718 . . . . 0.0 110.362 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.24 73.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.261 -0.899 . . . . 0.0 110.136 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.22 91.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 109.274 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -59.41 -41.44 89.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.323 -0.861 . . . . 0.0 109.121 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.13 -42.07 94.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 109.693 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.78 -39.12 84.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.269 -0.894 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.01 -29.87 69.82 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.471 -0.768 . . . . 0.0 109.251 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.62 -38.76 85.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.595 -0.69 . . . . 0.0 109.241 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -72.6 0.06 11.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.0 62.64 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.71 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 125' ' ' ILE . 96.6 mt -78.84 142.88 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.316 . . . . 0.0 108.643 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.574 ' HG ' ' HG1' ' A' ' 129' ' ' THR . 10.0 p -51.49 139.93 18.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.991 -1.068 . . . . 0.0 110.214 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 p -58.68 -42.65 88.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.834 -0.541 . . . . 0.0 110.574 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.06 -45.03 91.83 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.911 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.574 ' HG1' ' HG ' ' A' ' 126' ' ' SER . 94.7 m -68.3 -43.38 77.79 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 109.977 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.82 76.15 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.882 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.04 -39.47 75.72 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.635 -1.291 . . . . 0.0 109.808 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.47 81.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.048 -1.033 . . . . 0.0 109.779 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.9 m -63.65 -44.24 94.4 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.2 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.48 -45.4 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.391 -0.818 . . . . 0.0 109.485 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.05 -29.31 69.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.144 -0.973 . . . . 0.0 109.247 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.22 -50.25 17.75 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.86 -41.74 78.03 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.854 -1.38 . . . . 0.0 109.494 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -102.0 136.05 42.51 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.519 -0.738 . . . . 0.0 109.266 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -82.26 63.93 6.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.53 -0.731 . . . . 0.0 109.563 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.5 m -130.36 158.4 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.0 m -74.96 130.02 38.66 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.924 -1.11 . . . . 0.0 109.97 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.1 m -62.26 -39.93 94.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 109.948 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.2 m -64.72 -49.34 71.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.076 -1.015 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.51 -43.84 97.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.056 -1.027 . . . . 0.0 110.006 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -60.27 -46.09 91.04 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.23 -0.919 . . . . 0.0 110.566 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.25 -46.9 88.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 0.0 110.641 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 110' ' ' TRP . 45.2 mtmt -69.21 -30.45 68.63 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.827 -1.171 . . . . 0.0 110.74 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -59.94 -47.33 86.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.786 -1.196 . . . . 0.0 109.996 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.78 -35.22 76.78 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.774 -1.204 . . . . 0.0 109.673 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.08 -39.92 87.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 110.925 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.76 -9.93 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.57 -1.331 . . . . 0.0 110.351 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -60.0 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.861 -1.149 . . . . 0.0 110.709 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.14 -4.27 52.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.567 -1.333 . . . . 0.0 109.464 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -103.92 145.73 29.7 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.449 ' N ' ' OD2' ' A' ' 159' ' ' ASP . . . -60.37 140.12 57.32 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.132 -0.98 . . . . 0.0 109.54 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 9.8 mtpm? -52.03 -50.14 80.22 Favored Pre-proline 0 C--N 1.301 -1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 111.509 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 33.8 Cg_endo -61.61 -22.46 74.49 Favored 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.886 1.724 . . . . 0.0 113.374 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 156' ' ' ALA . 9.4 p30 -89.98 0.04 57.32 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.967 -1.083 . . . . 0.0 109.649 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.474 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 31.1 m0 -57.57 -39.52 76.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.572 -0.705 . . . . 0.0 109.912 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -51.47 -47.08 63.28 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.681 -1.262 . . . . 0.0 109.392 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.11 62.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.985 -1.072 . . . . 0.0 109.616 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.01 84.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.96 -1.088 . . . . 0.0 109.916 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.42 -40.51 97.39 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 120.83 -1.169 . . . . 0.0 109.141 179.3 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.4 tp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.24 -31.75 70.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -0.853 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.241 -1.537 . . . . 0.0 109.201 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.55 -40.02 95.5 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.1 t-105 -59.91 -45.68 91.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.209 -0.932 . . . . 0.0 109.045 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.403 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 39.3 t0 -58.62 -37.83 76.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.235 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.95 -5.93 59.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 109.636 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.93 150.53 48.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.286 -0.884 . . . . 0.0 109.658 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -74.43 161.63 29.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.112 -0.992 . . . . 0.0 108.926 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 102' ' ' SER . 36.8 p-10 -60.06 -38.69 83.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.103 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.555 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 65.1 m -60.06 -40.27 88.88 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.228 -0.92 . . . . 0.0 109.516 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.484 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -67.11 -39.87 86.77 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 105' ' ' ARG . 41.0 ttt-85 -60.49 -47.12 87.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.676 -0.64 . . . . 0.0 110.153 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.04 -50.05 75.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.88 -1.138 . . . . 0.0 109.11 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.81 94.18 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.661 -1.274 . . . . 0.0 109.608 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.18 -40.0 92.28 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.607 -0.683 . . . . 0.0 110.154 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -65.81 -40.08 91.51 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 111.284 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.85 -10.57 59.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.958 -1.089 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 56.9 tp -72.85 -48.4 8.3 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 120.565 -1.334 . . . . 0.0 111.563 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 49.3 Cg_endo -64.79 -25.51 60.69 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.731 1.621 . . . . 0.0 112.041 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.48 62.6 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.968 -1.083 . . . . 0.0 109.257 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.95 -42.46 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.373 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -64.38 -41.04 96.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.885 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.7 83.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.133 -0.98 . . . . 0.0 109.496 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.43 90.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.242 -0.911 . . . . 0.0 109.497 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.35 -41.5 93.76 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.516 -0.74 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.48 -41.15 93.61 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.498 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.6 mmt -69.91 -40.24 75.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 109.306 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -40.15 96.71 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.929 -1.107 . . . . 0.0 109.161 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -63.68 -40.1 95.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.462 -0.774 . . . . 0.0 109.73 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.25 -3.4 29.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.67 36.39 33.37 Favored Glycine 0 N--CA 1.495 2.623 0 O-C-N 121.442 -0.786 . . . . 0.0 113.533 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.73 141.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.337 -1.684 . . . . 0.0 107.509 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.7 m -49.26 140.02 10.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.057 -1.027 . . . . 0.0 109.268 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 -43.67 84.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.079 -1.013 . . . . 0.0 110.085 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -59.94 -42.76 94.72 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 109.223 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.095 -1.003 . . . . 0.0 110.63 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.23 74.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 111.318 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.88 -40.12 83.59 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 109.707 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.47 89.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.102 -0.999 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.8 m -60.01 -44.96 94.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.075 -1.016 . . . . 0.0 110.291 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.16 -46.06 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.591 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.03 -29.34 69.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.688 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.45 -53.45 8.7 Favored Glycine 0 N--CA 1.482 1.734 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -70.52 -40.27 73.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -1.187 . . . . 0.0 109.805 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 135' ' ' ALA . 76.5 m-85 -97.99 135.12 40.14 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -88.07 61.32 6.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.929 -1.107 . . . . 0.0 108.922 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.79 159.95 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.595 -0.691 . . . . 0.0 109.388 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.0 m -71.76 128.97 37.49 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 109.179 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.79 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.452 -0.78 . . . . 0.0 109.687 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 93.1 p -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.089 -1.007 . . . . 0.0 110.301 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.4 m -63.45 -50.02 71.39 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.121 . . . . 0.0 110.228 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.494 -0.754 . . . . 0.0 109.536 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -59.12 -49.76 76.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.323 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.84 -42.42 97.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.143 -0.973 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -34.72 74.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 110.973 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -59.95 -49.6 77.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.041 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -62.74 -39.38 93.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.648 -1.283 . . . . 0.0 109.382 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.85 -39.73 86.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.616 -0.678 . . . . 0.0 111.919 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.2 -16.6 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.522 -1.361 . . . . 0.0 112.043 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.54 -38.5 77.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.546 -1.346 . . . . 0.0 109.526 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -73.32 -8.07 54.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.496 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -106.81 156.24 18.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.133 -0.98 . . . . 0.0 109.057 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -61.89 154.14 27.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.407 -0.808 . . . . 0.0 109.967 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 7.3 mtmp? -66.35 -40.02 31.46 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.675 -1.266 . . . . 0.0 112.104 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 93.7 Cg_endo -80.35 -23.14 6.41 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.813 1.675 . . . . 0.0 113.953 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 41.9 p-10 -84.88 1.92 44.94 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.752 -1.218 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.0 m0 -59.39 -40.07 85.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.436 -0.79 . . . . 0.0 108.976 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.6 87.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.667 -0.646 . . . . 0.0 110.702 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.49 -31.15 47.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.957 -1.089 . . . . 0.0 110.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.61 83.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.308 -0.87 . . . . 0.0 110.516 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.74 -29.47 66.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.91 -1.118 . . . . 0.0 109.959 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.811 -1.181 . . . . 0.0 109.467 -179.276 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -69.85 -29.47 66.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.483 -0.761 . . . . 0.0 109.607 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.84 -40.08 87.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.783 -1.198 . . . . 0.0 108.75 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -61.6 -40.39 94.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.636 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -61.33 -48.79 79.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.372 -0.83 . . . . 0.0 108.813 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -58.05 -35.9 72.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -0.817 . . . . 0.0 109.522 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.95 -6.19 58.42 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.324 -0.86 . . . . 0.0 108.847 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.47 150.82 44.52 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.396 0.617 . . . . 0.0 109.624 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -74.26 161.28 30.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.3 p-10 -59.57 -39.7 84.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.069 . . . . 0.0 109.581 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.453 ' HG ' ' N ' ' A' ' 103' ' ' GLN . 85.6 p -60.44 -40.14 90.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.229 -0.919 . . . . 0.0 109.377 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' HG ' ' A' ' 102' ' ' SER . 97.7 mm-40 -65.43 -41.49 93.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.492 -0.755 . . . . 0.0 109.889 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -66.58 -40.29 88.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.893 -1.129 . . . . 0.0 109.51 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.71 -40.1 96.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.399 -0.813 . . . . 0.0 109.369 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.14 -43.31 99.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.116 -0.99 . . . . 0.0 109.155 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.29 90.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.782 -1.199 . . . . 0.0 108.811 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.24 -40.07 96.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 110.447 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.68 -40.08 95.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.621 -0.675 . . . . 0.0 110.581 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.14 -6.91 58.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 110.923 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.6 tp -70.01 -43.46 19.57 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.295 -1.503 . . . . 0.0 111.765 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -71.46 -21.29 26.33 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 CA-C-N 120.749 1.303 . . . . 0.0 112.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.11 -42.03 33.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 0.0 109.431 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.85 -41.85 85.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.08 -40.43 94.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.224 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.05 95.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.077 -1.014 . . . . 0.0 109.91 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.68 88.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 57.6 t0 -59.88 -42.2 93.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.362 -0.836 . . . . 0.0 110.321 -178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 118.519 -1.272 . . . . 0.0 108.761 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.5 mtt -68.74 -41.75 78.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.715 -0.616 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.71 -39.94 95.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -61.74 -39.73 92.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.907 -1.12 . . . . 0.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -72.76 0.33 11.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 109.323 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.97 33.91 56.62 Favored Glycine 0 N--CA 1.492 2.412 0 O-C-N 120.768 -1.207 . . . . 0.0 110.996 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.65 140.23 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.5 m -59.96 141.12 56.14 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.997 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.7 p -53.91 -46.04 71.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.642 -1.286 . . . . 0.0 109.593 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.97 -49.69 75.93 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.976 -1.077 . . . . 0.0 109.276 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.8 m -68.26 -41.18 81.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.059 -1.026 . . . . 0.0 109.616 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.91 75.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 110.431 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -69.96 -39.85 75.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.535 -1.353 . . . . 0.0 109.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.1 90.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.841 -1.162 . . . . 0.0 108.823 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -48.85 79.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.19 -48.85 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.11 -30.91 70.65 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.806 -0.559 . . . . 0.0 109.577 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.03 25.5 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.97 -40.27 68.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.255 -1.144 . . . . 0.0 109.789 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.8 m-85 -100.83 137.0 39.8 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -85.36 67.68 10.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.972 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.72 156.37 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.282 -0.886 . . . . 0.0 109.779 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.7 t -72.6 132.02 43.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.48 93.31 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.013 -1.054 . . . . 0.0 109.967 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.8 t -63.6 -40.05 95.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 110.345 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 82.2 m -63.7 -50.72 68.07 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.691 -1.255 . . . . 0.0 109.485 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.56 -40.47 91.72 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.297 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -60.02 -48.51 81.43 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 0.0 110.069 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.06 -43.66 95.24 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.041 -1.037 . . . . 0.0 109.995 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.33 -40.02 85.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.589 -0.695 . . . . 0.0 110.473 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.127 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.36 -38.68 90.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.562 -1.336 . . . . 0.0 109.964 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.45 -38.82 81.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.57 -12.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.976 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.07 -39.71 82.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.823 -1.173 . . . . 0.0 109.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -72.86 -2.28 20.07 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.138 -0.977 . . . . 0.0 109.195 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.05 141.6 48.58 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -67.78 153.37 43.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.838 -1.164 . . . . 0.0 109.099 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 81.9 mttt -50.1 -51.35 62.99 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.018 -1.051 . . . . 0.0 112.419 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 5.5 Cg_endo -48.61 -40.97 38.05 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.641 1.56 . . . . 0.0 114.215 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 159' ' ' ASP . 6.7 p-10 -89.76 4.6 49.18 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.739 -1.225 . . . . 0.0 110.834 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.479 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.9 m0 -58.45 -39.92 81.22 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.854 -1.153 . . . . 0.0 108.923 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.78 68.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 109.329 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.58 64.03 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.213 -0.93 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.85 90.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.691 . . . . 0.0 110.212 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.23 -23.21 62.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 110.358 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.493 1.705 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.712 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.355 0.598 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -69.82 -30.71 68.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.223 -0.923 . . . . 0.0 111.62 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.0 m -60.23 -40.53 90.53 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.256 -1.527 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -61.13 -41.28 96.44 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.52 -46.31 90.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.548 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 59.0 t0 -56.72 -34.3 67.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.25 -0.906 . . . . 0.0 109.074 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.81 -0.58 51.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.859 -1.151 . . . . 0.0 109.574 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.66 152.56 44.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.445 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -72.83 158.95 34.56 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 102' ' ' SER . 39.3 p-10 -59.8 -40.21 87.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.723 -1.236 . . . . 0.0 109.876 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 71.6 m -60.46 -39.89 89.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.885 -1.134 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.66 -39.92 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.372 -0.83 . . . . 0.0 109.253 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.3 mtt180 -65.2 -40.86 94.75 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.835 -0.54 . . . . 0.0 110.082 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -62.09 -40.19 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.78 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.87 -49.07 79.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.724 -1.235 . . . . 0.0 108.877 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.39 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.306 -0.871 . . . . 0.0 109.514 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.65 -40.22 94.14 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.222 -0.924 . . . . 0.0 110.528 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.0 -40.47 96.42 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.078 -1.014 . . . . 0.0 110.486 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -81.22 -9.73 59.73 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.265 -0.897 . . . . 0.0 111.471 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 17.9 tp -72.76 -45.57 9.15 Favored Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.445 -1.409 . . . . 0.0 112.262 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 47.1 Cg_endo -67.21 -26.78 41.87 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.858 1.342 . . . . 0.0 112.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.99 31.64 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.883 -1.136 . . . . 0.0 110.017 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.6 t -70.03 -42.55 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.052 . . . . 0.0 108.406 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.09 -41.03 91.19 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.298 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.58 91.51 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.13 88.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.89 -1.131 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 58.9 t0 -59.09 -45.05 91.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.667 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.74 -40.14 88.22 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.153 -0.967 . . . . 0.0 109.102 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.29 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.398 -0.814 . . . . 0.0 109.368 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.18 -39.98 78.39 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.674 0.749 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 124' ' ' GLY . 94.9 m-20 -60.63 -37.17 80.59 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.456 -0.778 . . . . 0.0 110.062 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.99 -0.43 2.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 122' ' ' ASN . . . 76.73 26.82 62.01 Favored Glycine 0 N--CA 1.497 2.766 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.817 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.66 139.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.961 -1.317 . . . . 0.0 108.957 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -55.64 141.16 38.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.213 -0.93 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.4 p -56.81 -48.71 77.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.993 -1.067 . . . . 0.0 110.381 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.14 -41.2 92.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.898 -1.126 . . . . 0.0 108.959 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.9 m -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.023 -1.048 . . . . 0.0 108.216 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.9 70.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.637 -0.664 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -69.93 -39.77 75.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.127 -0.983 . . . . 0.0 109.927 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.59 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.992 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.4 m -60.11 -43.98 95.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.639 -0.663 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.35 -47.37 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 109.822 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.98 68.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.92 -1.112 . . . . 0.0 109.276 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.7 -47.6 47.74 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -78.15 -41.33 35.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.125 -1.221 . . . . 0.0 108.921 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -96.68 131.62 43.17 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.54 -0.725 . . . . 0.0 110.067 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -85.07 62.28 7.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.161 -0.962 . . . . 0.0 110.16 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.3 160.22 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 71.2 m -72.11 134.61 45.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.463 -0.773 . . . . 0.0 109.112 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.51 91.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.071 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.5 t -64.13 -40.14 95.53 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.453 -0.779 . . . . 0.0 110.943 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.0 m -61.55 -50.0 74.44 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.624 -1.298 . . . . 0.0 110.875 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.5 -40.84 92.85 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.85 -1.156 . . . . 0.0 109.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.925 -0.484 . . . . 0.0 110.459 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.95 -40.31 95.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.825 -1.172 . . . . 0.0 109.898 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.37 -38.6 81.54 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -59.7 -46.6 88.6 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.176 -0.952 . . . . 0.0 110.471 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -67.73 -39.56 84.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.913 -1.117 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.94 -39.92 87.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.81 -4.85 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.084 -1.01 . . . . 0.0 109.985 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.88 -39.85 82.64 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -77.83 -4.83 48.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 110.561 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . 0.454 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 86.1 m-85 -109.87 141.14 42.98 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -53.23 148.76 8.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.351 -0.843 . . . . 0.0 109.182 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 37.2 mttp -59.42 -42.63 93.44 Favored Pre-proline 0 C--N 1.304 -1.398 0 O-C-N 121.552 -0.717 . . . . 0.0 112.605 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 55.6 Cg_endo -68.32 -32.48 26.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.777 1.313 . . . . 0.0 113.897 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 5.8 p-10 -83.78 1.81 41.11 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.719 -1.238 . . . . 0.0 109.787 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 m0 -58.63 -39.21 79.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.207 -0.933 . . . . 0.0 109.121 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.4 71.59 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.499 -0.75 . . . . 0.0 109.594 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.21 -32.44 66.76 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.616 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.2 68.62 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.901 -1.124 . . . . 0.0 109.739 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.3 -37.22 77.7 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.086 -1.009 . . . . 0.0 111.299 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.492 1.642 0 O-C-N 119.956 -1.715 . . . . 0.0 110.534 -178.537 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 121.266 0.555 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -67.24 -27.68 67.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.573 -1.329 . . . . 0.0 111.821 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -59.82 -39.95 86.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.313 -1.492 . . . . 0.0 108.473 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.23 -42.59 95.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 108.333 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -62.47 -47.7 82.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.542 -0.724 . . . . 0.0 110.372 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.82 -36.85 70.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.086 -1.009 . . . . 0.0 109.698 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -81.54 -6.0 58.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.142 -0.974 . . . . 0.0 109.633 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.15 152.14 46.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.002 -1.061 . . . . 0.0 108.898 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -75.04 162.39 28.61 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.958 -1.089 . . . . 0.0 109.128 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.73 -39.76 85.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.006 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.4 p -59.96 -39.93 87.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 110.205 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.14 -40.07 95.36 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.091 -1.006 . . . . 0.0 110.521 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -65.45 -40.0 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.739 -1.226 . . . . 0.0 109.628 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -59.99 -43.79 94.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.262 -0.899 . . . . 0.0 109.101 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.19 -48.67 80.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.508 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.51 86.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.102 . . . . 0.0 108.892 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.89 -38.33 81.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.433 -0.792 . . . . 0.0 109.459 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.59 -39.99 94.73 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.25 -0.906 . . . . 0.0 111.044 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -82.7 -6.24 59.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.147 -0.971 . . . . 0.0 111.714 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 4.4 tp -77.16 -46.69 2.71 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 120.006 -1.684 . . . . 0.0 111.314 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.8 Cg_endo -67.12 -26.66 42.6 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.197 1.265 . . . . 0.0 112.497 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.12 -39.99 62.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.033 -1.042 . . . . 0.0 109.405 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.16 -45.09 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.68 -40.21 96.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.927 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.23 84.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.061 -1.024 . . . . 0.0 108.618 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.44 91.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.431 -0.793 . . . . 0.0 110.195 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.9 -42.54 94.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.875 -1.14 . . . . 0.0 109.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.76 -40.32 92.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.358 -0.839 . . . . 0.0 108.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.49 -40.05 95.43 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.586 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.01 -40.0 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.07 -40.18 88.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.035 -1.041 . . . . 0.0 109.087 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -70.2 -6.91 37.82 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.93 30.31 68.13 Favored Glycine 0 N--CA 1.496 2.699 0 O-C-N 121.112 -0.992 . . . . 0.0 111.095 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.46 146.42 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.865 -1.374 . . . . 0.0 109.126 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.2 t -49.87 137.99 15.72 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.937 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.4 p -59.17 -45.58 90.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 109.757 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -56.29 -48.81 75.9 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 108.812 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.2 m -68.17 -41.12 81.97 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.329 -0.857 . . . . 0.0 110.514 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.0 75.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.856 -1.152 . . . . 0.0 110.447 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.525 ' CE2' ' NH1' ' A' ' 146' ' ' ARG . 54.7 m-85 -67.61 -39.95 84.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.007 -1.058 . . . . 0.0 110.228 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.24 93.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -0.944 . . . . 0.0 109.548 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.9 m -61.15 -40.54 94.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.072 -1.017 . . . . 0.0 109.47 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.94 -42.29 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 0.0 108.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.23 -36.68 84.86 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.4 -0.813 . . . . 0.0 109.254 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.37 79.89 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.47 -44.52 35.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.409 -1.054 . . . . 0.0 109.75 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 135' ' ' ALA . 89.7 m-85 -97.2 139.17 33.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.243 -0.911 . . . . 0.0 109.571 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -82.93 61.02 5.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.409 -0.807 . . . . 0.0 108.902 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 159.53 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.547 -0.721 . . . . 0.0 109.624 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' A' ' 141' ' ' SER . 3.9 p -78.81 132.16 36.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 108.578 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.09 94.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.747 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 57.9 m -61.59 -40.95 96.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.185 -0.947 . . . . 0.0 110.565 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.8 m -65.38 -45.74 82.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.964 -1.085 . . . . 0.0 109.563 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.98 -38.64 83.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 109.411 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.525 ' NH1' ' CE2' ' A' ' 131' ' ' PHE . 26.5 ttm-85 -59.23 -50.03 75.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.03 -1.044 . . . . 0.0 110.026 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.98 -40.72 96.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.311 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -39.64 86.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.511 -0.743 . . . . 0.0 111.623 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -59.86 -46.32 89.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.75 -1.219 . . . . 0.0 110.17 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.43 -37.44 83.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.753 -1.217 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.18 -39.95 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 111.117 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.83 -10.03 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.924 -1.11 . . . . 0.0 109.698 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.9 -38.66 79.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.273 -0.892 . . . . 0.0 109.085 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.42 -9.89 59.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.338 -0.851 . . . . 0.0 110.71 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.85 145.96 29.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.916 -1.115 . . . . 0.0 110.08 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.16 41.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.739 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 90.3 mttt -49.53 -52.57 48.97 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 121.516 -0.74 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 29.7 Cg_endo -60.04 -26.16 81.67 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.413 1.409 . . . . 0.0 112.298 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -87.02 -3.21 59.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.092 -1.005 . . . . 0.0 110.477 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.055 -1.028 . . . . 0.0 109.647 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.888 -1.133 . . . . 0.0 108.695 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.37 -30.64 60.24 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.33 71.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.978 -1.076 . . . . 0.0 110.515 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.83 -39.62 76.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.251 -0.906 . . . . 0.0 112.13 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.495 1.778 0 O-C-N 120.581 -1.324 . . . . 0.0 110.128 -178.622 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.559 0.695 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.8 -29.42 68.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -58.94 -39.07 80.5 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.612 -1.305 . . . . 0.0 108.014 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -61.58 -40.13 93.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.295 -0.878 . . . . 0.0 109.051 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.0 t-105 -60.45 -48.29 82.39 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 64.8 t0 -57.49 -35.82 70.69 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -83.72 -6.76 59.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 108.958 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 147.69 52.53 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.036 -1.04 . . . . 0.0 109.368 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.1 t -74.06 162.38 29.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.554 -0.716 . . . . 0.0 109.443 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.26 -41.13 88.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.93 -1.106 . . . . 0.0 109.684 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.229 -0.919 . . . . 0.0 109.402 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.13 -40.74 94.86 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.161 -0.962 . . . . 0.0 109.054 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -68.54 -39.95 80.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.036 . . . . 0.0 109.747 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.237 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.91 -48.46 81.59 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.31 88.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.399 -0.813 . . . . 0.0 109.197 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.68 -40.29 94.47 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.896 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -64.63 -39.63 94.04 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 111.079 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 61.5 m95 -80.95 -10.24 59.74 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.256 -0.903 . . . . 0.0 110.799 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.8 tp -71.3 -47.04 13.86 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 120.519 -1.363 . . . . 0.0 111.869 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 37.8 Cg_endo -63.23 -29.6 73.53 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 CA-C-N 120.718 1.292 . . . . 0.0 112.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.56 -43.76 30.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.696 -1.252 . . . . 0.0 109.801 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.1 -40.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.874 -1.141 . . . . 0.0 109.048 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -67.24 -40.17 86.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.211 -0.931 . . . . 0.0 109.627 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.25 95.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.608 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.01 89.03 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.22 -44.61 92.3 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.136 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 88.1 tt0 -61.01 -40.19 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.463 -0.773 . . . . 0.0 109.379 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.38 -40.03 92.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.085 -1.009 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -40.29 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.281 -0.887 . . . . 0.0 111.151 -177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.7 p30 -68.51 -17.45 64.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.845 -1.159 . . . . 0.0 110.167 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 41.3 tp60 -81.62 -1.02 45.06 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.25 21.39 78.51 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.168 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.89 149.36 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.923 -1.339 . . . . 0.0 109.102 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.6 m -59.9 141.04 56.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 p -58.54 -42.57 88.13 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.243 0.544 . . . . 0.0 110.122 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.11 -45.94 91.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.943 -1.098 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.6 m -69.18 -39.97 78.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.967 -1.083 . . . . 0.0 108.903 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.96 71.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.393 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.75 -39.21 76.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.83 93.35 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.2 m -60.85 -42.03 97.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 109.951 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.88 -42.97 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.969 -1.082 . . . . 0.0 109.291 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.86 -31.06 71.79 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 109.171 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.55 -44.65 63.11 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -79.21 -42.7 25.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.1 m-85 -99.84 136.65 39.44 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -86.54 69.12 10.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.285 -0.884 . . . . 0.0 109.623 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.86 157.25 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.709 -0.619 . . . . 0.0 109.652 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.6 t -74.12 130.34 39.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.501 -0.749 . . . . 0.0 110.432 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.02 -1.05 . . . . 0.0 109.331 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -63.53 -40.78 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.835 -1.165 . . . . 0.0 110.22 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 95.8 m -64.31 -51.96 60.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.589 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.77 -40.77 93.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 110.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -60.13 -50.89 71.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.999 -1.063 . . . . 0.0 110.621 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.41 -41.54 97.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.098 -1.001 . . . . 0.0 109.594 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.571 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 51.6 mtpt -63.56 -38.51 91.41 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.664 -0.648 . . . . 0.0 110.588 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -60.06 -42.6 94.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.132 -0.98 . . . . 0.0 109.596 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -69.54 -38.42 77.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.905 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.18 -39.0 84.96 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -77.8 -8.22 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.66 -1.275 . . . . 0.0 111.512 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.95 -37.23 78.93 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.107 -0.996 . . . . 0.0 110.292 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -76.85 -10.3 59.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.277 -0.89 . . . . 0.0 109.978 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.88 143.5 33.07 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.391 -0.818 . . . . 0.0 109.061 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.47 146.64 39.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 66.6 mttt -49.79 -49.77 71.54 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 0.0 111.439 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 50.6 Cg_endo -68.12 -20.01 44.35 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 120.463 1.201 . . . . 0.0 111.797 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 54.1 t0 -83.39 -9.4 59.06 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.528 -0.732 . . . . 0.0 109.357 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -57.6 -39.98 78.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.125 -0.985 . . . . 0.0 110.021 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.35 79.05 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.733 -1.23 . . . . 0.0 109.784 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -32.51 62.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.11 71.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.167 -0.958 . . . . 0.0 110.096 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.48 -8.93 57.94 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.173 -0.955 . . . . 0.0 110.092 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 179.154 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.789 0.804 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -68.33 -30.13 69.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -39.32 85.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.883 -1.136 . . . . 0.0 109.064 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.88 -40.0 94.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.569 -1.332 . . . . 0.0 108.618 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.493 ' CZ2' ' NE ' ' A' ' 104' ' ' ARG . 4.4 t-105 -60.85 -46.2 91.51 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.94 -40.27 88.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.27 -0.894 . . . . 0.0 110.226 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.16 -1.4 58.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.508 -0.745 . . . . 0.0 109.831 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 160.84 31.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.252 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.3 t -71.9 154.06 41.47 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.776 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -60.01 -39.93 87.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.736 . . . . 0.0 109.285 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.1 p -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 109.932 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.8 -40.52 92.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.944 -1.097 . . . . 0.0 109.876 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.493 ' NE ' ' CZ2' ' A' ' 96' ' ' TRP . 61.2 mtp180 -63.1 -38.23 90.36 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.88 -1.138 . . . . 0.0 109.317 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -60.69 -41.83 95.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.121 -0.987 . . . . 0.0 109.77 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.013 -1.054 . . . . 0.0 109.266 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.01 94.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.719 -1.238 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.62 -39.97 93.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 0.0 109.41 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.94 -40.95 97.62 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.19 -0.944 . . . . 0.0 111.988 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -85.47 -7.64 58.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.902 -1.124 . . . . 0.0 111.537 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.6 tp -73.63 -45.63 7.27 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.616 -1.302 . . . . 0.0 112.171 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 23.8 Cg_endo -61.34 -27.34 82.87 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 CA-C-N 121.274 1.491 . . . . 0.0 110.526 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.63 -46.15 19.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.633 -0.667 . . . . 0.0 109.783 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 115' ' ' GLN . 0.8 OUTLIER -68.3 -42.84 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.982 -1.074 . . . . 0.0 110.147 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.442 ' N ' ' CG1' ' A' ' 114' ' ' VAL . 12.7 tt0 -63.03 -40.19 96.99 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 108.687 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.95 93.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.398 -0.814 . . . . 0.0 109.323 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.4 -43.92 92.89 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 0.0 109.205 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.71 -40.4 92.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.266 -0.896 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.83 -40.08 91.44 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.943 -1.098 . . . . 0.0 108.983 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.65 -39.11 91.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.274 -0.891 . . . . 0.0 109.198 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.6 -40.0 90.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.829 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.35 -1.88 17.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.216 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.43 36.8 69.47 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 120.973 -1.079 . . . . 0.0 111.587 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.7 mt -82.32 148.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.989 -1.301 . . . . 0.0 109.01 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -56.86 139.68 50.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 108.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -56.61 -44.43 81.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.239 -0.913 . . . . 0.0 110.575 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.48 -43.99 93.16 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.93 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.0 m -70.52 -42.13 71.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.034 -1.041 . . . . 0.0 109.923 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.82 70.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.26 -0.9 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.15 -39.49 89.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.125 -0.984 . . . . 0.0 108.828 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.918 -1.113 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.2 m -61.52 -44.85 96.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.188 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.82 -40.1 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 120.908 -1.12 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.14 -27.41 66.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.227 -0.921 . . . . 0.0 108.81 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.27 -47.05 13.65 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.25 -40.76 77.66 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.939 -1.33 . . . . 0.0 109.408 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.7 m-85 -105.52 136.95 44.17 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.885 -0.51 . . . . 0.0 109.777 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -78.96 66.91 4.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.288 -0.883 . . . . 0.0 108.676 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.16 158.54 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.8 m -76.34 129.32 36.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 108.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.15 87.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.92 -1.112 . . . . 0.0 109.311 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.3 m -64.12 -40.08 95.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.398 -0.814 . . . . 0.0 110.478 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.3 m -64.7 -49.92 68.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.149 -0.969 . . . . 0.0 109.719 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.08 -41.7 93.02 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.518 -0.739 . . . . 0.0 109.638 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.6 -50.37 74.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.514 -0.741 . . . . 0.0 110.174 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.35 -41.1 96.51 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.083 -1.01 . . . . 0.0 109.847 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.26 -35.3 75.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.7 -39.97 86.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.133 -0.979 . . . . 0.0 109.871 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -68.85 -37.63 79.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 109.668 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -39.38 85.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.681 -0.637 . . . . 0.0 110.879 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.421 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 20.8 m -77.67 -10.79 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.721 -1.237 . . . . 0.0 110.786 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.08 -37.29 79.47 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.845 -1.159 . . . . 0.0 109.458 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.16 -11.02 59.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 0.0 109.132 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.73 140.5 37.97 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.195 -0.941 . . . . 0.0 109.577 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.31 145.0 33.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.046 -1.034 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.53 ' HZ1' ' CB ' ' A' ' 157' ' ' LYS . 7.9 mtmp? -47.26 -50.83 45.95 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.829 -0.545 . . . . 0.0 110.964 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 48.8 Cg_endo -65.8 -27.73 51.63 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 CA-C-N 120.536 1.227 . . . . 0.0 111.151 178.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -80.52 -6.09 57.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 152' ' ' VAL . 31.0 m0 -59.9 -40.24 88.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.002 -1.062 . . . . 0.0 109.914 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.028 -1.045 . . . . 0.0 108.882 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.05 69.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.3 71.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.261 -0.899 . . . . 0.0 111.728 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 58.7 mt -73.93 0.12 14.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.101 -1.0 . . . . 0.0 111.094 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.489 1.49 0 O-C-N 120.629 -1.295 . . . . 0.0 109.131 179.693 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 121.642 0.734 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -67.57 -30.65 70.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.0 t -59.99 -39.9 87.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.851 -1.156 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.03 -39.86 96.02 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.842 -1.161 . . . . 0.0 108.438 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.482 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.3 t-105 -60.52 -44.66 95.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.657 -0.652 . . . . 0.0 109.368 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 58.4 t0 -54.11 -35.75 62.48 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.498 -0.751 . . . . 0.0 109.137 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -85.74 -9.15 57.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.794 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.65 142.01 58.2 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.837 -1.164 . . . . 0.0 108.65 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.5 p -71.5 162.27 29.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 109.993 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 102' ' ' SER . 37.3 p-10 -59.92 -39.85 86.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.483 -0.76 . . . . 0.0 109.858 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.57 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 80.2 p -59.94 -40.02 87.5 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.873 -1.142 . . . . 0.0 108.805 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -65.4 -39.91 92.79 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.357 -0.839 . . . . 0.0 108.742 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -66.15 -39.96 90.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.688 -0.633 . . . . 0.0 110.556 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -60.75 -42.38 97.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.518 -0.739 . . . . 0.0 109.931 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.24 -50.75 72.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.16 89.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.207 -0.933 . . . . 0.0 109.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.31 -39.67 87.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.408 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -64.95 -40.08 94.48 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.227 -0.92 . . . . 0.0 110.804 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -80.57 -10.3 59.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.501 -0.749 . . . . 0.0 111.367 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.416 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 36.6 tp -73.33 -48.13 7.38 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.462 -1.398 . . . . 0.0 111.461 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 58.2 Cg_endo -68.89 -24.62 33.64 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 120.998 1.392 . . . . 0.0 112.75 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.44 39.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.912 -1.117 . . . . 0.0 110.157 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.49 -42.8 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.26 -42.61 96.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.0 97.46 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.52 94.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 108.884 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -42.05 84.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.463 -0.773 . . . . 0.0 110.045 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.48 -40.02 94.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.958 -1.089 . . . . 0.0 109.378 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 75.6 mtp -61.69 -39.98 93.38 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.943 -1.098 . . . . 0.0 110.05 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.25 -37.37 87.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 0.0 109.194 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -38.44 82.72 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 109.848 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -73.99 -5.62 42.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.986 -1.071 . . . . 0.0 108.484 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.27 35.96 56.22 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.455 -0.778 . . . . 0.0 111.207 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.1 140.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.273 -1.134 . . . . 0.0 109.226 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -47.96 131.99 15.3 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.055 -1.028 . . . . 0.0 109.78 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 p -57.65 -41.61 81.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.482 -0.761 . . . . 0.0 110.748 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.78 -48.26 82.39 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.651 -1.28 . . . . 0.0 108.556 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.4 m -67.86 -40.53 83.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.923 -1.111 . . . . 0.0 108.921 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.59 73.1 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.387 -0.821 . . . . 0.0 110.728 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -67.78 -40.11 84.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.758 -1.214 . . . . 0.0 109.512 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.6 93.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.979 -1.076 . . . . 0.0 110.117 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -61.35 -42.05 98.06 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.063 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.1 t -66.48 -46.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.794 -0.566 . . . . 0.0 109.891 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.16 -38.55 86.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.756 -1.215 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.26 -44.73 90.19 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -75.4 -44.96 41.88 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.172 -1.193 . . . . 0.0 110.071 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 83.7 m-85 -95.77 137.69 34.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.235 -0.916 . . . . 0.0 108.757 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.05 60.1 5.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.663 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.68 157.45 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-O 121.638 0.733 . . . . 0.0 109.605 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.9 m -73.09 134.94 44.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.566 -0.709 . . . . 0.0 109.738 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.36 85.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.983 -1.073 . . . . 0.0 108.54 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.3 t -63.52 -40.68 97.67 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.503 -0.748 . . . . 0.0 110.619 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.4 m -61.95 -50.01 73.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.347 -0.846 . . . . 0.0 110.052 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.59 -40.51 92.03 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.122 -0.986 . . . . 0.0 109.91 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.19 -51.95 67.41 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.164 -0.96 . . . . 0.0 110.443 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.6 -43.97 96.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 0.0 110.523 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -68.32 -37.13 80.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.829 -1.169 . . . . 0.0 111.105 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.65 -49.67 75.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 109.847 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -64.26 -38.65 91.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.082 -1.011 . . . . 0.0 108.607 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.86 -41.83 92.34 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 110.207 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -81.58 -16.62 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.572 -1.33 . . . . 0.0 109.66 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.64 -36.48 76.45 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.333 -0.855 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -75.89 -11.92 60.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.434 -0.791 . . . . 0.0 109.824 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.26 145.51 35.79 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.248 -0.908 . . . . 0.0 109.453 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.44 147.08 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.428 -0.795 . . . . 0.0 109.565 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 3.4 mttm -60.96 -43.12 90.19 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 111.06 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 86.4 Cg_exo -49.47 -38.85 44.76 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.994 1.796 . . . . 0.0 113.143 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.59 2.56 54.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 111.738 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -57.47 -42.17 82.07 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.937 -1.102 . . . . 0.0 109.332 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.106 . . . . 0.0 109.058 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.39 49.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 110.46 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.83 68.1 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.716 -1.24 . . . . 0.0 110.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.05 -30.06 67.23 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.067 -1.021 . . . . 0.0 112.94 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.492 1.667 0 O-C-N 120.11 -1.619 . . . . 0.0 109.851 -178.088 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.804 0.812 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.89 -34.93 74.2 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.533 -0.729 . . . . 0.0 110.302 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -60.49 -41.91 95.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.927 -1.108 . . . . 0.0 108.481 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.18 -40.02 88.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.472 -0.767 . . . . 0.0 108.939 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.5 t-105 -61.14 -48.24 82.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.97 -1.082 . . . . 0.0 109.454 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 60.7 t0 -58.23 -36.13 72.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.218 -0.927 . . . . 0.0 109.193 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -83.74 -3.36 57.74 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.077 -1.014 . . . . 0.0 110.187 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.52 154.22 42.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.142 -0.974 . . . . 0.0 110.02 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.1 p -70.82 160.06 33.44 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 102' ' ' SER . 40.3 p-10 -60.97 -39.83 91.08 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.121 -0.987 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 23.1 t -60.01 -39.8 87.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.961 -1.087 . . . . 0.0 110.269 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -39.94 95.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.439 -0.788 . . . . 0.0 109.0 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 91.8 mtt180 -65.6 -40.19 92.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.291 -179.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.86 -40.07 83.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.899 -1.126 . . . . 0.0 110.213 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -40.57 94.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.12 -0.988 . . . . 0.0 108.574 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.01 88.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.88 . . . . 0.0 109.685 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.83 -40.05 91.33 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.457 -0.777 . . . . 0.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 109' ' ' LYS . 4.2 ttmp? -67.95 -39.91 83.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.536 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -81.02 -9.48 59.83 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.036 -1.04 . . . . 0.0 111.677 -177.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 6.3 tp -75.4 -48.21 4.15 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 120.333 -1.479 . . . . 0.0 111.819 -178.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.5 Cg_endo -66.84 -27.84 43.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 CA-C-N 121.108 1.431 . . . . 0.0 112.392 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.05 -42.15 57.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.766 -1.209 . . . . 0.0 110.167 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.48 -42.5 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.074 -1.016 . . . . 0.0 109.051 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.41 -40.1 92.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.043 -1.036 . . . . 0.0 108.859 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.71 94.72 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.225 -0.922 . . . . 0.0 109.832 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.46 85.64 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.492 -0.755 . . . . 0.0 108.972 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 6.9 t70 -57.56 -47.36 82.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.328 -0.857 . . . . 0.0 109.646 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.66 -40.3 96.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.047 -1.033 . . . . 0.0 110.22 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.41 -40.11 81.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.983 -1.073 . . . . 0.0 109.655 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.5 -36.41 81.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.107 . . . . 0.0 109.704 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 94.7 m-20 -60.04 -39.87 87.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.053 -1.029 . . . . 0.0 109.81 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -65.8 -5.21 8.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.0 109.083 -179.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.82 66.48 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.111 -0.993 . . . . 0.0 111.009 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.26 149.26 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.895 -1.356 . . . . 0.0 108.841 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -49.51 133.21 20.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 0.0 109.92 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -57.81 -42.86 85.15 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.693 0.759 . . . . 0.0 109.405 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -59.32 -47.27 86.03 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.033 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.0 m -66.87 -40.91 87.98 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.801 -1.187 . . . . 0.0 109.31 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.75 -54.22 47.86 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -67.12 -39.97 86.75 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.153 -0.967 . . . . 0.0 109.6 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.22 86.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.697 -1.252 . . . . 0.0 109.377 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.3 m -65.12 -42.16 94.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.76 -42.19 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.105 -0.997 . . . . 0.0 109.479 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.64 -30.26 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.85 -1.156 . . . . 0.0 109.065 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.07 -46.87 57.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -73.42 -43.75 59.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.012 -1.287 . . . . 0.0 108.958 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -97.56 130.7 44.59 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.554 -0.716 . . . . 0.0 109.588 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.05 61.71 4.0 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.721 -1.237 . . . . 0.0 109.53 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.66 153.01 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 CA-C-O 121.93 0.871 . . . . 0.0 110.026 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 t -71.8 130.47 41.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.955 . . . . 0.0 109.998 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.11 88.99 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.373 -0.83 . . . . 0.0 109.723 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.5 t -65.8 -40.75 92.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.21 -0.932 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.3 m -65.53 -50.29 65.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 110.156 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.02 -42.53 94.55 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.571 -0.706 . . . . 0.0 109.999 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -60.13 -49.28 78.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.863 -1.148 . . . . 0.0 109.748 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -61.33 -40.68 95.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.033 -1.042 . . . . 0.0 110.102 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -66.06 -39.12 89.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.408 -0.807 . . . . 0.0 110.589 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.99 -45.85 91.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -177.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -68.67 -40.05 80.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.163 -1.585 . . . . 0.0 109.351 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.26 -40.18 89.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.552 -0.718 . . . . 0.0 111.162 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.49 -11.32 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 120.475 -1.391 . . . . 0.0 109.93 -179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.0 -39.66 86.56 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.353 -0.842 . . . . 0.0 110.168 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.68 -9.01 58.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.791 -1.193 . . . . 0.0 109.508 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -106.34 146.34 30.55 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.41 -0.806 . . . . 0.0 109.933 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.97 50.28 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 53.7 mttm -50.05 -52.48 52.56 Favored Pre-proline 0 N--CA 1.487 1.423 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.106 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 25.7 Cg_endo -61.84 -21.66 72.69 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.94 1.093 . . . . 0.0 111.915 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.97 -10.1 59.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.375 -0.828 . . . . 0.0 109.718 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -59.03 -39.95 83.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.675 . . . . 0.0 109.981 -178.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.004 -1.06 . . . . 0.0 110.652 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.63 80.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.128 -0.982 . . . . 0.0 109.945 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.42 80.85 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 110.693 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.13 -38.7 82.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.064 -1.022 . . . . 0.0 112.06 -177.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.461 -1.4 . . . . 0.0 110.611 -178.533 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -64.04 -34.35 77.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.102 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -41.48 92.29 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.733 -1.229 . . . . 0.0 109.046 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -40.46 94.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.963 . . . . 0.0 108.632 179.28 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.0 t-105 -61.36 -49.34 77.34 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.86 -39.85 82.57 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.961 -1.087 . . . . 0.0 109.347 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.96 -3.04 59.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.066 -1.021 . . . . 0.0 109.117 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.01 154.08 42.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.143 -0.973 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 t -72.34 159.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.888 -1.132 . . . . 0.0 109.808 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.96 -40.09 87.83 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.775 -0.578 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -58.09 -40.75 81.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.178 -0.951 . . . . 0.0 109.153 -179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -63.71 -41.99 98.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -69.43 -41.05 76.84 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.643 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -60.0 -49.74 76.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 0.0 109.137 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.03 -45.59 94.17 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.589 0.709 . . . . 0.0 109.511 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.02 98.11 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.673 -1.267 . . . . 0.0 109.97 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.27 -40.03 94.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.66 -39.88 92.93 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.814 -1.179 . . . . 0.0 110.553 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -82.65 -6.17 59.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.115 -0.991 . . . . 0.0 111.101 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.1 tp -74.63 -46.13 5.48 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.385 -1.447 . . . . 0.0 112.249 -178.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 73.9 Cg_endo -70.99 -21.41 27.8 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 CA-C-N 120.852 1.34 . . . . 0.0 112.047 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.09 53.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.83 -40.94 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.252 -0.905 . . . . 0.0 109.65 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.65 -40.56 80.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.47 -0.769 . . . . 0.0 110.4 -178.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.65 90.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.019 -1.051 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 35.8 t0 -59.89 -47.47 85.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 -179.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -61.13 -40.13 92.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.907 . . . . 0.0 109.701 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.1 mtt -61.24 -40.05 92.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.381 -0.825 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.46 -39.62 92.23 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.02 -40.1 92.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.938 . . . . 0.0 109.834 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.46 1.52 18.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.13 40.31 50.79 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 120.154 -1.022 . . . . 0.0 111.699 178.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.6 mm -79.95 141.68 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.179 -1.189 . . . . 0.0 109.096 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 t -56.26 139.67 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.738 -1.226 . . . . 0.0 108.673 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -59.75 -44.36 93.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.738 -1.226 . . . . 0.0 109.682 -178.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -59.02 -44.36 91.71 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.716 -1.24 . . . . 0.0 109.216 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.3 m -69.87 -41.53 74.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.964 -1.085 . . . . 0.0 109.604 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.96 71.46 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.376 -0.827 . . . . 0.0 110.559 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.71 -39.95 76.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.16 -0.963 . . . . 0.0 109.308 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.72 97.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.938 -1.101 . . . . 0.0 109.714 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.1 m -60.6 -43.75 97.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.023 -1.048 . . . . 0.0 109.142 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.78 -41.67 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.064 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.23 -29.12 68.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.001 -1.062 . . . . 0.0 109.849 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.89 -49.5 22.62 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -72.12 -40.35 68.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.813 -1.404 . . . . 0.0 109.146 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.4 m-85 -99.26 134.58 41.91 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.392 -0.818 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -83.8 61.58 6.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.009 -1.057 . . . . 0.0 109.516 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.41 157.03 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-O 121.816 0.817 . . . . 0.0 110.775 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.6 t -72.0 130.14 40.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.13 88.82 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.26 -0.9 . . . . 0.0 109.824 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.3 m -60.61 -40.08 90.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 110.01 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.6 m -63.46 -47.65 80.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 110.327 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.09 -40.57 90.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.441 0.638 . . . . 0.0 109.855 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -59.58 -48.03 83.24 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 109.696 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.5 -43.94 96.49 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.118 -0.989 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.63 -37.64 87.14 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.547 -0.721 . . . . 0.0 110.14 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.92 -47.1 87.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.341 -0.849 . . . . 0.0 110.172 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -67.83 -32.35 72.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.942 -1.099 . . . . 0.0 109.226 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.03 -40.02 87.88 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.0 110.52 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.26 -13.03 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.926 -1.108 . . . . 0.0 111.328 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -59.31 -38.27 79.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.743 -1.223 . . . . 0.0 109.648 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -76.09 -3.15 34.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -114.03 144.04 43.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.225 -0.922 . . . . 0.0 109.045 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.86 147.27 29.07 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.3 mptt -59.55 -39.97 75.89 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 120.813 -1.179 . . . . 0.0 112.018 -177.363 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 35.6 Cg_exo -57.42 -38.88 92.97 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.736 1.624 . . . . 0.0 113.102 -179.811 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 8.0 p-10 -88.99 5.53 43.83 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.79 -1.194 . . . . 0.0 110.378 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -57.92 -40.0 79.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.704 -1.248 . . . . 0.0 108.983 178.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.87 82.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 108.792 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.44 57.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.305 -0.872 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.69 -23.85 66.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.275 -0.891 . . . . 0.0 110.918 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.72 -28.25 65.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.647 -1.283 . . . . 0.0 110.989 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 120.815 -1.178 . . . . 0.0 109.466 179.895 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.9 tp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.999 0.428 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -67.35 -25.74 66.14 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.046 -1.034 . . . . 0.0 109.722 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.3 m -59.85 -41.57 91.71 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.656 -1.278 . . . . 0.0 108.646 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -61.22 -40.79 95.32 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.5 t-105 -60.27 -49.23 78.42 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 58.9 t0 -58.94 -38.04 78.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 109.202 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -82.57 -9.93 59.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.48 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.21 150.04 46.87 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.271 -0.893 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.62 161.39 31.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.914 -1.116 . . . . 0.0 109.552 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.558 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 6.2 m-20 -60.15 -39.88 87.93 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.597 -0.689 . . . . 0.0 110.718 -178.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.73 -40.01 86.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.845 -1.159 . . . . 0.0 109.561 -178.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 21.0 mp0 -66.75 -40.39 88.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.852 -1.155 . . . . 0.0 109.488 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.558 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 86.8 mtm180 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.604 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -62.57 -42.17 99.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.349 -0.844 . . . . 0.0 110.354 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.96 -42.75 98.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.004 -1.06 . . . . 0.0 109.288 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.062 -1.024 . . . . 0.0 109.491 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -40.66 91.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.858 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -67.64 -40.07 84.62 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.574 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 65.8 m95 -80.56 -10.15 59.75 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.142 -0.974 . . . . 0.0 112.317 -178.226 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.447 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 32.7 tp -75.3 -47.28 4.44 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.371 -1.455 . . . . 0.0 111.497 -178.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 53.8 Cg_endo -65.48 -21.51 60.2 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 CA-C-N 121.019 1.4 . . . . 0.0 112.41 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.9 32.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 110.441 -179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.57 -45.84 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.489 -179.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.97 -40.05 90.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.98 -1.075 . . . . 0.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.878 -1.138 . . . . 0.0 108.914 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.28 89.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.521 -0.737 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 49.1 t0 -59.2 -39.16 81.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.987 . . . . 0.0 109.628 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.041 -1.037 . . . . 0.0 109.878 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.8 mmt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.754 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.15 -33.04 73.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -59.99 -39.7 86.64 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.923 . . . . 0.0 110.66 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.15 4.18 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.871 -1.143 . . . . 0.0 110.041 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.64 28.47 70.9 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.784 178.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 157.24 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.981 -1.305 . . . . 0.0 108.749 179.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -60.03 140.3 56.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.89 -1.131 . . . . 0.0 109.706 -179.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -59.81 -41.25 90.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.843 -1.16 . . . . 0.0 110.299 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -60.11 -46.73 88.62 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.527 -178.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.2 m -67.59 -39.93 84.8 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.75 41.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.509 -0.744 . . . . 0.0 110.955 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.136 -0.978 . . . . 0.0 109.618 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.12 93.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.554 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.2 m -61.84 -45.7 92.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.102 -0.999 . . . . 0.0 108.975 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.04 -47.04 80.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.65 -31.1 72.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.322 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.76 -47.0 42.65 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -73.94 -43.82 57.01 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.022 -1.281 . . . . 0.0 109.393 179.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.448 ' O ' ' O ' ' A' ' 135' ' ' ALA . 87.0 m-85 -96.37 134.54 39.39 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.21 -0.932 . . . . 0.0 109.415 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -83.37 65.81 8.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.42 -0.8 . . . . 0.0 109.1 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.27 157.91 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.495 -0.753 . . . . 0.0 109.668 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.1 t -72.24 129.13 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.486 -0.759 . . . . 0.0 110.042 -179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.51 86.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.209 -0.932 . . . . 0.0 110.03 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 t -63.99 -40.68 96.92 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.5 m -61.97 -50.09 73.5 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.237 -0.914 . . . . 0.0 109.606 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.21 -41.88 93.98 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.096 -1.003 . . . . 0.0 109.745 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.06 -45.61 92.3 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.923 -1.111 . . . . 0.0 110.6 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 46.8 t0 -60.03 -47.91 83.89 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.884 -1.135 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . 0.574 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 49.6 mtmt -69.51 -30.42 68.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.491 -0.756 . . . . 0.0 110.855 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -58.75 -49.92 75.84 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.693 -178.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -69.94 -33.79 72.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.828 -1.17 . . . . 0.0 110.428 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.28 -39.78 88.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.947 -1.096 . . . . 0.0 111.666 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.14 -10.65 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.605 -1.309 . . . . 0.0 112.136 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.2 -38.6 77.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.589 -1.32 . . . . 0.0 110.398 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -75.07 -5.81 46.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.818 -1.176 . . . . 0.0 109.747 -179.029 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.46 145.56 39.99 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.479 -0.763 . . . . 0.0 109.901 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.38 140.05 58.09 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.739 0.781 . . . . 0.0 110.817 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 40.0 mttp -51.41 -49.98 79.05 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.622 -0.674 . . . . 0.0 111.318 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 12.1 Cg_endo -54.55 -30.49 65.26 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.39 1.394 . . . . 0.0 112.71 -179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -88.54 -0.03 56.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 0.0 109.97 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -56.53 -39.99 74.31 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.914 -1.116 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.87 94.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.6 -1.312 . . . . 0.0 109.683 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.67 60.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.352 -0.842 . . . . 0.0 109.747 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.33 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 111.348 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.38 -21.4 62.87 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.841 -1.162 . . . . 0.0 111.429 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 120.678 -1.264 . . . . 0.0 109.677 -178.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.94 -29.13 66.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.273 -0.892 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.8 m -59.85 -41.12 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.009 -1.057 . . . . 0.0 109.016 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -63.44 -40.07 96.17 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.9 t-105 -61.61 -47.74 84.07 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.12 -39.59 82.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -80.86 -8.13 59.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.322 -0.861 . . . . 0.0 109.404 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.83 44.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.383 -0.823 . . . . 0.0 109.574 -179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -72.21 162.36 29.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.0 110.215 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . 58.2 t0 -60.05 -39.82 87.3 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.876 -0.515 . . . . 0.0 109.796 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.808 -1.182 . . . . 0.0 109.821 -179.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.13 -41.78 85.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.092 -1.005 . . . . 0.0 110.085 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.16 -40.01 78.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.914 -1.116 . . . . 0.0 109.089 179.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.07 -40.22 97.03 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.463 -0.773 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.96 -50.04 75.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.867 -1.146 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.84 86.24 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.802 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.79 -40.08 91.3 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.944 -1.098 . . . . 0.0 109.761 -179.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -65.01 -39.9 94.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.73 . . . . 0.0 110.549 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -81.21 -10.44 59.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.259 -0.901 . . . . 0.0 110.806 -179.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 50.7 tp -70.92 -47.9 14.81 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.516 -1.365 . . . . 0.0 111.981 -177.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 38.5 Cg_endo -65.08 -25.06 58.83 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 CA-C-N 120.857 1.342 . . . . 0.0 112.211 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.25 52.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.824 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.9 -40.94 79.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.303 -0.873 . . . . 0.0 109.456 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -69.24 -41.81 76.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.992 -1.068 . . . . 0.0 109.842 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.745 -1.222 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.86 86.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.058 -1.026 . . . . 0.0 109.792 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.97 -43.53 95.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.215 -0.928 . . . . 0.0 109.74 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -41.53 96.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.19 -41.29 98.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.773 -1.204 . . . . 0.0 109.569 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.06 -36.61 84.57 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.06 -40.41 89.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.674 -0.641 . . . . 0.0 110.142 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -72.36 -0.61 12.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.25 -0.906 . . . . 0.0 109.047 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.0 65.28 Favored Glycine 0 N--CA 1.496 2.641 0 O-C-N 120.951 -1.093 . . . . 0.0 111.837 177.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 125' ' ' ILE . 94.8 mt -74.15 144.26 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.973 -1.31 . . . . 0.0 108.167 178.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.1 t -56.53 139.97 47.81 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.6 p -58.87 -41.25 86.61 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.07 -1.019 . . . . 0.0 110.289 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.52 -44.59 93.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.947 -1.096 . . . . 0.0 108.875 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -69.93 -42.31 73.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.88 -1.138 . . . . 0.0 109.83 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.04 75.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.185 -0.947 . . . . 0.0 110.379 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -66.57 -39.43 88.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.88 -1.137 . . . . 0.0 109.181 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.66 80.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.03 -1.044 . . . . 0.0 109.033 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -63.02 -44.07 96.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.947 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.6 -49.88 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.0 109.766 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.84 -28.56 69.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.432 -0.792 . . . . 0.0 109.179 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.53 -48.25 14.01 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.59 -42.3 71.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.332 -1.099 . . . . 0.0 109.62 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 135' ' ' ALA . 90.5 m-85 -99.9 138.78 36.5 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.268 -0.895 . . . . 0.0 109.287 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -84.14 63.69 7.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.239 -0.913 . . . . 0.0 109.139 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.13 159.87 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 CA-C-O 121.765 0.793 . . . . 0.0 109.679 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -75.46 127.81 33.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.416 -0.803 . . . . 0.0 109.031 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.62 90.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.032 -1.043 . . . . 0.0 109.532 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.1 m -62.01 -40.31 95.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.408 -0.808 . . . . 0.0 110.415 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.6 m -65.37 -46.06 81.64 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.982 -1.074 . . . . 0.0 109.45 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.09 -41.53 92.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 110.061 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -59.94 -49.06 79.16 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.185 -0.947 . . . . 0.0 110.278 -178.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.45 -43.86 96.42 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.846 -1.159 . . . . 0.0 111.208 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.79 -34.33 76.56 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.067 . . . . 0.0 110.963 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -60.13 -49.58 77.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.802 -1.186 . . . . 0.0 110.355 -178.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -67.91 -36.74 80.7 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.643 -1.286 . . . . 0.0 110.059 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.01 -40.33 88.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.222 -0.924 . . . . 0.0 111.506 -178.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 m -81.96 -7.72 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.996 -1.065 . . . . 0.0 110.252 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 153' ' ' GLN . 1.9 tm0? -58.86 -40.29 83.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.939 -1.1 . . . . 0.0 110.01 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.56 -3.38 46.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.888 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.48 141.08 38.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.261 -0.899 . . . . 0.0 109.65 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -59.32 144.98 44.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.263 -0.898 . . . . 0.0 108.703 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.9 mptt -59.04 -40.01 78.27 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.942 -1.099 . . . . 0.0 111.646 -177.366 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 33.7 Cg_exo -61.77 -35.76 77.56 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.814 1.676 . . . . 0.0 112.417 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.72 0.73 49.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.441 -0.787 . . . . 0.0 110.414 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 28.6 m0 -56.98 -39.98 75.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.988 -1.07 . . . . 0.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.9 84.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.047 -1.033 . . . . 0.0 109.422 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.19 60.87 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.866 -1.147 . . . . 0.0 109.771 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.137 -0.977 . . . . 0.0 110.546 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.91 -39.69 87.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.24 -0.913 . . . . 0.0 110.049 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.08 -1.013 . . . . 0.0 109.065 179.548 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -64.15 -35.1 79.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.743 -0.598 . . . . 0.0 109.435 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -59.89 -39.83 86.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.094 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.42 -40.14 89.96 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -61.94 -46.18 90.46 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.96 -40.49 89.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.864 -1.147 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -82.65 -7.07 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.971 -1.081 . . . . 0.0 109.016 -179.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 148.78 49.38 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.27 -0.894 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -69.78 158.23 35.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 102' ' ' SER . 31.7 p-10 -59.75 -37.08 78.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.824 . . . . 0.0 110.225 -179.147 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 92.8 p -59.77 -40.73 89.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.853 . . . . 0.0 109.267 -179.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.17 -43.52 94.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.784 -1.198 . . . . 0.0 108.654 178.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -70.06 -41.68 73.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.231 -0.918 . . . . 0.0 109.663 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.038 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.39 -49.82 76.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.0 109.355 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -60.65 -39.04 86.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.156 -0.965 . . . . 0.0 109.799 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.14 -40.0 96.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.098 -1.001 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -84.33 -6.73 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.246 -0.909 . . . . 0.0 111.412 -178.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.5 tp -73.21 -45.28 8.02 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 120.509 -1.37 . . . . 0.0 112.227 -178.495 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.8 Cg_endo -66.77 -30.4 41.19 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 CA-C-N 120.811 1.325 . . . . 0.0 112.435 -179.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -40.65 50.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.72 -1.238 . . . . 0.0 110.249 -179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.4 -44.63 77.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.142 -0.974 . . . . 0.0 109.348 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -63.0 -43.48 98.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 109.149 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.46 89.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.53 -0.732 . . . . 0.0 109.408 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.65 85.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -59.95 -45.79 91.51 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 109.988 -179.025 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.38 -42.43 95.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.883 -1.136 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.4 mtp -65.63 -40.27 92.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.47 -39.8 94.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.142 -0.974 . . . . 0.0 109.453 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 0.0 109.316 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.88 -9.56 3.09 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.474 -0.766 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.84 29.61 64.91 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.438 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.66 145.31 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -1.223 . . . . 0.0 108.347 178.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 m -53.01 137.81 32.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.115 -0.991 . . . . 0.0 108.698 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -58.29 -43.21 87.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.647 -0.658 . . . . 0.0 110.135 -178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.86 -48.6 81.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.067 -1.021 . . . . 0.0 109.621 -179.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.9 m -66.29 -42.02 88.94 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.537 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.87 72.05 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.523 -0.735 . . . . 0.0 111.124 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -67.35 -39.09 85.74 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.94 -1.1 . . . . 0.0 109.602 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.19 74.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.332 -0.855 . . . . 0.0 109.163 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.7 m -61.19 -42.51 98.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.894 -1.129 . . . . 0.0 110.061 179.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.71 -45.44 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.284 -0.885 . . . . 0.0 109.663 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.77 -27.14 67.35 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.01 -45.68 40.28 Favored Glycine 0 N--CA 1.484 1.837 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -75.59 -44.37 43.44 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.279 -1.13 . . . . 0.0 109.027 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 135' ' ' ALA . 91.8 m-85 -97.46 139.99 32.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.34 -0.85 . . . . 0.0 110.074 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -85.08 63.39 8.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.916 -1.115 . . . . 0.0 109.494 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.38 157.69 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.338 -0.851 . . . . 0.0 109.953 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.0 t -73.07 131.6 42.3 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.393 -0.817 . . . . 0.0 109.629 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.39 89.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.9 t -65.08 -39.97 93.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.903 -1.123 . . . . 0.0 110.349 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.9 m -64.86 -48.68 73.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.081 -1.012 . . . . 0.0 110.713 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.89 -44.75 94.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.101 -0.999 . . . . 0.0 110.133 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -60.1 -48.82 80.14 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.771 -1.206 . . . . 0.0 109.976 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.03 -49.13 78.64 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.02 -1.05 . . . . 0.0 110.38 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.04 -31.44 71.97 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.231 -0.918 . . . . 0.0 110.668 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.36 -40.99 83.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.038 -1.039 . . . . 0.0 109.467 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.56 -35.18 70.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.204 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.26 -40.03 88.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 111.302 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.12 -12.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.078 -1.014 . . . . 0.0 109.381 -179.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.8 -37.58 79.56 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.859 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -76.35 -6.19 50.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 110.547 -179.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -109.94 149.58 29.72 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.097 -1.002 . . . . 0.0 109.948 -179.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 108.741 -179.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -50.1 -49.9 72.67 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.98 -1.075 . . . . 0.0 110.238 -179.059 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 50.0 Cg_exo -53.35 -34.13 69.32 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.108 1.872 . . . . 0.0 112.651 -179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 9.5 t0 -87.4 1.07 54.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.359 -0.838 . . . . 0.0 110.146 -179.089 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -59.41 -40.35 86.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.893 -1.129 . . . . 0.0 109.135 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.29 -46.89 76.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.686 -1.258 . . . . 0.0 109.291 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.4 62.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 179.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.27 85.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.207 -0.933 . . . . 0.0 110.049 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.02 -39.79 94.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.941 -1.1 . . . . 0.0 109.713 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.304 -1.4 0 O-C-N 121.167 -0.958 . . . . 0.0 109.12 -179.114 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.714 0.769 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -69.47 -32.68 71.73 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.404 -0.81 . . . . 0.0 110.99 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -59.75 -39.95 86.48 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 108.363 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' ALA . 60.7 tttp -60.83 -42.14 97.15 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.3 t-105 -61.01 -50.08 74.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.516 -0.74 . . . . 0.0 109.412 178.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.83 -40.17 87.57 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.873 -1.142 . . . . 0.0 109.014 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.94 -0.81 57.19 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.543 -0.723 . . . . 0.0 110.245 -179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -67.23 158.57 31.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.245 -0.909 . . . . 0.0 109.148 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.7 t -70.03 153.42 43.23 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.4 p-10 -60.06 -37.2 79.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -0.959 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.7 p -60.16 -39.99 88.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.945 -1.097 . . . . 0.0 108.852 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.88 -40.05 95.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.009 -1.057 . . . . 0.0 109.031 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.426 ' NH1' ' HG3' ' A' ' 104' ' ' ARG . 14.1 mmm-85 -65.24 -41.78 93.99 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.7 -44.2 86.88 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.37 0.605 . . . . 0.0 109.711 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.4 -46.01 91.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.679 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.24 94.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.098 -1.001 . . . . 0.0 109.958 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.368 -0.832 . . . . 0.0 109.545 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.15 -40.2 90.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.214 -0.929 . . . . 0.0 111.418 -179.098 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -81.16 -8.8 59.83 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.132 -0.98 . . . . 0.0 111.333 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -74.95 -47.53 4.76 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 120.395 -1.441 . . . . 0.0 111.903 -178.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -70.29 -26.48 25.04 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 CA-C-N 121.077 1.42 . . . . 0.0 112.979 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.71 -41.4 53.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.693 -1.254 . . . . 0.0 109.841 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.45 -40.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 108.781 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -65.41 -40.81 93.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.205 -0.934 . . . . 0.0 109.711 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.89 95.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.34 -0.85 . . . . 0.0 109.932 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.44 90.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -58.39 -40.53 82.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.038 -1.039 . . . . 0.0 108.856 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 75.1 tt0 -61.73 -40.24 94.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.933 -1.104 . . . . 0.0 109.989 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.9 mtt -68.58 -40.01 80.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.864 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.73 -40.17 94.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.781 . . . . 0.0 110.961 -178.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 48.2 p30 -68.1 -16.79 64.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.23 -1.544 . . . . 0.0 109.454 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 7.9 tp-100 -81.55 -0.26 41.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.469 -0.769 . . . . 0.0 109.185 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.21 24.43 76.43 Favored Glycine 0 N--CA 1.494 2.509 0 O-C-N 120.935 -1.103 . . . . 0.0 110.972 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.5 mt -80.0 141.57 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.752 -1.44 . . . . 0.0 108.992 179.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.9 m -55.87 140.11 43.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.339 -0.851 . . . . 0.0 109.748 -178.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -58.1 -44.87 87.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.528 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.35 -46.7 85.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.872 -1.142 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 83.2 m -67.36 -40.37 85.76 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.439 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.81 -52.09 66.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.437 -0.789 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -69.6 -39.41 77.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.848 -1.157 . . . . 0.0 109.795 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.73 96.72 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.862 -1.149 . . . . 0.0 109.371 -179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -62.31 -45.3 93.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.503 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.3 t -67.82 -45.13 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.215 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.51 -33.29 73.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.191 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.61 -47.95 24.98 Favored Glycine 0 C--N 1.296 -1.674 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.03 -40.22 71.87 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.331 . . . . 0.0 109.443 179.516 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 135' ' ' ALA . 63.7 m-85 -100.17 137.95 37.91 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.062 -1.023 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.17 62.15 5.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.972 -1.08 . . . . 0.0 108.652 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.0 159.96 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -74.4 130.65 40.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 109.8 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.48 85.99 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.151 -0.968 . . . . 0.0 109.592 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.1 p -65.63 -40.03 92.09 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.566 -0.709 . . . . 0.0 110.588 -179.18 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 m -62.11 -48.52 79.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.906 -1.121 . . . . 0.0 109.404 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.9 -45.57 92.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.947 -1.096 . . . . 0.0 109.834 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -59.68 -51.75 68.44 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.384 -0.823 . . . . 0.0 110.687 -178.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 41.8 t0 -61.38 -40.41 94.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.015 -1.053 . . . . 0.0 109.766 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -67.2 -39.81 86.39 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.922 -0.486 . . . . 0.0 110.695 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.45 -48.69 79.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.862 -1.149 . . . . 0.0 109.53 -178.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -61.06 -39.87 91.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.858 -1.151 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.34 -40.2 93.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.034 -1.041 . . . . 0.0 110.638 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.67 -13.18 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 120.792 -1.193 . . . . 0.0 109.967 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.67 -39.6 85.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.959 -1.088 . . . . 0.0 109.93 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -73.68 -10.41 59.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.638 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -110.43 137.54 48.01 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.296 -0.878 . . . . 0.0 108.988 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.63 153.65 27.33 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.798 -179.311 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 67.5 mttt -51.16 -54.99 32.14 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.26 -0.9 . . . . 0.0 109.84 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 46.5 Cg_exo -30.64 -50.67 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 122.434 2.09 . . . . 0.0 114.938 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 36.8 p-10 -89.49 2.77 54.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.834 -1.166 . . . . 0.0 111.809 -177.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -58.27 -40.04 80.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.31 -1.494 . . . . 0.0 109.302 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.13 80.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.82 -40.05 66.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.472 -0.768 . . . . 0.0 109.871 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.97 76.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.529 -0.732 . . . . 0.0 111.029 -178.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.79 -39.87 87.94 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.518 -1.364 . . . . 0.0 111.548 -178.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 120.543 -1.348 . . . . 0.0 111.125 -178.446 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.802 0.334 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -67.37 -31.24 71.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.724 -1.235 . . . . 0.0 110.453 -178.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.401 -1.437 . . . . 0.0 108.892 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.93 -40.51 93.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.499 -0.751 . . . . 0.0 109.118 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.1 t-105 -60.58 -50.01 75.25 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.548 0.689 . . . . 0.0 109.31 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -59.09 -39.73 83.07 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.309 -0.87 . . . . 0.0 108.898 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.78 -6.55 59.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.09 154.2 41.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 109.358 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 p -73.59 162.81 28.81 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.001 -1.062 . . . . 0.0 109.133 -179.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 94.8 m-20 -60.03 -39.88 87.41 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.551 -0.718 . . . . 0.0 109.679 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.3 p -60.07 -40.03 88.1 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.011 -1.055 . . . . 0.0 109.588 -179.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -62.38 -41.29 98.53 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.827 -1.171 . . . . 0.0 110.41 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 81.7 mtm180 -66.63 -40.12 88.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.664 -1.272 . . . . 0.0 109.479 -179.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -63.74 -39.95 95.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.495 -0.753 . . . . 0.0 110.175 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 tp -60.18 -46.43 89.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.832 -1.167 . . . . 0.0 108.198 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.53 93.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.784 -1.197 . . . . 0.0 108.976 178.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -61.87 -39.93 93.62 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.495 -0.882 . . . . 0.0 108.745 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -61.23 -38.34 86.31 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.728 -0.608 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -90.09 -0.95 57.86 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.153 -0.967 . . . . 0.0 113.204 -177.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 7.0 tp -74.91 -38.55 3.06 Favored Pre-proline 0 N--CA 1.501 2.115 0 O-C-N 119.538 -1.977 . . . . 0.0 110.811 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 37.7 Cg_exo -59.56 -30.73 93.12 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.076 1.851 . . . . 0.0 112.124 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.98 -49.96 18.2 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.169 -0.957 . . . . 0.0 108.793 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.85 -40.22 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.892 -1.13 . . . . 0.0 108.139 179.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -63.16 -48.11 79.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 108.968 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.4 73.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 110.041 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.24 85.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 109.258 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.7 -45.11 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.87 -40.31 92.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.469 -0.77 . . . . 0.0 109.529 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.0 mmm -60.69 -40.46 92.24 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.364 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.88 -38.76 89.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.096 -1.003 . . . . 0.0 109.729 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -37.54 80.67 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.495 -178.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.06 -6.17 16.15 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.34 31.28 68.71 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.356 -0.84 . . . . 0.0 111.18 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.0 141.92 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.838 -1.389 . . . . 0.0 108.804 178.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -50.74 134.7 24.68 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 109.271 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.455 ' H ' ' HG1' ' A' ' 127' ' ' THR . 2.3 p -59.07 -42.89 91.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.652 -0.655 . . . . 0.0 110.326 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.86 -44.86 91.13 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.346 -179.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.3 m -70.04 -44.84 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.856 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 0.0 110.567 -179.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.38 -40.19 89.56 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.929 -1.107 . . . . 0.0 109.211 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.78 98.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 0.0 108.642 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.4 m -62.73 -40.1 96.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.512 -0.743 . . . . 0.0 109.433 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.35 -46.26 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.905 . . . . 0.0 109.38 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.17 -33.92 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.666 -0.646 . . . . 0.0 109.519 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.12 -42.52 76.2 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -75.4 -45.32 39.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.236 . . . . 0.0 109.289 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.4 m-85 -101.34 133.9 45.24 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.504 -0.747 . . . . 0.0 109.23 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.31 64.33 6.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.819 -1.176 . . . . 0.0 109.453 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.15 158.55 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.431 ' HG ' ' HG1' ' A' ' 144' ' ' THR . 4.6 p -71.86 131.17 42.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.092 -1.005 . . . . 0.0 109.568 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.28 84.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.174 -0.954 . . . . 0.0 108.97 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -63.8 -39.89 95.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.585 -0.697 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.431 ' HG1' ' HG ' ' A' ' 141' ' ' SER . 23.3 m -63.22 -49.75 72.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.683 -1.261 . . . . 0.0 109.585 -179.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.64 -43.5 98.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.596 -0.69 . . . . 0.0 110.575 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' A' ' 146' ' ' ARG . 44.4 ttt-85 -59.86 -46.74 88.32 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.599 -178.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.12 -42.58 95.06 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.202 -0.936 . . . . 0.0 110.815 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.82 -35.2 74.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.081 -1.012 . . . . 0.0 110.287 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -49.6 77.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.109 -177.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -65.46 -40.07 92.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.267 -0.896 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -40.74 90.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.001 -1.062 . . . . 0.0 111.299 -179.112 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.69 -10.74 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.642 -1.286 . . . . 0.0 110.009 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -59.74 -40.02 86.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.51 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -79.76 -6.52 57.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.641 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -104.43 143.91 32.37 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.22 -0.925 . . . . 0.0 109.845 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -56.98 141.62 44.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -55.82 -42.39 95.86 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 110.505 -178.382 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 25.1 Cg_exo -61.88 -31.68 84.96 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.447 1.432 . . . . 0.0 112.035 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -85.3 -2.07 57.66 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.303 -0.873 . . . . 0.0 110.369 -178.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 30.9 m0 -59.16 -39.9 83.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 0.0 109.367 -179.334 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.87 73.67 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.788 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.89 -40.3 40.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 109.845 179.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.69 78.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.528 -0.733 . . . . 0.0 110.392 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.9 -37.1 83.74 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.528 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.955 -1.091 . . . . 0.0 109.349 179.718 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -67.21 -31.51 71.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.493 -0.754 . . . . 0.0 109.839 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.91 -1.118 . . . . 0.0 108.593 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -60.05 -42.05 93.63 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 9.2 t-105 -61.01 -52.65 64.1 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.674 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 51.1 t0 -59.83 -38.9 83.34 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.315 -0.865 . . . . 0.0 109.569 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -86.04 -1.94 57.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.42 -179.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.91 153.03 44.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.01 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.6 m -73.65 165.9 24.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.863 -1.148 . . . . 0.0 109.915 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.6 p-10 -59.94 -40.09 87.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.735 -0.603 . . . . 0.0 110.11 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -62.69 -41.02 98.89 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 109.382 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.18 -43.01 99.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.947 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.6 -39.81 80.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.071 -1.018 . . . . 0.0 108.265 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -60.0 -41.22 91.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.407 -0.808 . . . . 0.0 109.106 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -50.02 75.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.094 -1.004 . . . . 0.0 109.838 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.505 -0.747 . . . . 0.0 109.403 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.97 -39.8 86.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.414 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.43 -39.59 92.27 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.541 -0.724 . . . . 0.0 111.611 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -88.54 -3.3 58.84 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.107 -0.996 . . . . 0.0 112.825 -177.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 5.7 tp -75.99 -38.26 2.41 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 120.065 -1.647 . . . . 0.0 111.841 -177.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.5 Cg_exo -65.45 -31.67 51.08 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.919 1.746 . . . . 0.0 111.897 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.07 65.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.048 -1.033 . . . . 0.0 110.361 -179.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.91 -46.47 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.739 -1.226 . . . . 0.0 108.974 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.5 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 109.101 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.63 99.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.375 -0.828 . . . . 0.0 109.496 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.35 95.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.524 -0.735 . . . . 0.0 109.818 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 37.4 t0 -60.0 -40.59 89.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.467 -0.771 . . . . 0.0 109.642 -179.402 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -60.62 -41.68 95.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 110.265 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.2 mmt -63.77 -40.04 95.73 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.49 -39.89 92.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.903 . . . . 0.0 110.701 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.09 -40.1 88.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.816 -1.178 . . . . 0.0 109.962 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.96 0.02 8.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.97 66.79 Favored Glycine 0 N--CA 1.5 2.902 0 O-C-N 121.211 -0.931 . . . . 0.0 111.575 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.63 146.99 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.085 -1.244 . . . . 0.0 109.64 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -55.3 137.97 46.44 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.029 -1.045 . . . . 0.0 109.653 -179.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 p -59.98 -43.63 94.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.567 -0.708 . . . . 0.0 110.648 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -59.91 -46.41 89.45 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.946 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.3 m -69.93 -40.27 75.63 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.338 -0.851 . . . . 0.0 109.617 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.392 -0.818 . . . . 0.0 110.447 -179.139 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -68.15 -39.96 82.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.037 . . . . 0.0 109.671 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.98 96.09 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -0.976 . . . . 0.0 108.979 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.3 m -60.99 -49.47 77.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 0.0 109.792 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.89 -48.5 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.03 -34.04 72.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.636 -0.665 . . . . 0.0 109.44 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.34 -51.14 18.44 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.26 -42.51 79.53 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.284 -1.127 . . . . 0.0 109.762 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.489 ' O ' ' O ' ' A' ' 135' ' ' ALA . 77.7 m-85 -94.5 141.77 28.2 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.128 . . . . 0.0 109.173 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.01 59.24 3.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.854 -1.154 . . . . 0.0 109.689 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.57 157.81 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.451 -0.781 . . . . 0.0 109.132 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.41 ' OG ' ' OG1' ' A' ' 144' ' ' THR . 66.6 p -76.33 136.07 39.56 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.561 -0.712 . . . . 0.0 109.503 -179.248 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.21 88.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.3 -0.875 . . . . 0.0 111.256 -179.119 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 t -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.096 -1.003 . . . . 0.0 111.354 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.41 ' OG1' ' OG ' ' A' ' 141' ' ' SER . 91.0 m -63.66 -50.35 69.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.904 -1.122 . . . . 0.0 111.081 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.93 -44.93 94.06 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.384 -0.823 . . . . 0.0 109.887 -178.731 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -59.92 -44.05 94.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.145 -0.972 . . . . 0.0 110.475 -178.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.71 -40.54 92.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.554 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.24 -38.92 82.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.695 -0.628 . . . . 0.0 111.071 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -58.45 -43.98 89.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.218 -0.926 . . . . 0.0 110.404 -177.353 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -70.02 -38.94 76.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.78 -1.2 . . . . 0.0 109.824 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.16 -39.81 87.71 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.65 -11.33 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.819 -1.175 . . . . 0.0 109.817 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -58.15 -38.62 76.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.0 109.627 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.48 -5.89 53.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 110.33 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -110.81 150.34 29.27 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 179.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -68.13 152.98 44.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.48 -0.762 . . . . 0.0 109.839 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 0.1 OUTLIER -51.37 -49.9 79.41 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.991 -1.068 . . . . 0.0 111.544 -179.559 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -60.95 -24.94 80.56 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 CA-C-N 120.753 1.305 . . . . 0.0 112.957 -179.368 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.13 -6.74 58.95 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.955 -1.091 . . . . 0.0 110.205 -179.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.1 m0 -58.87 -40.01 83.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.9 82.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.067 -1.021 . . . . 0.0 109.587 -179.133 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.36 65.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -0.942 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.13 74.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.11 -18.65 63.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.963 . . . . 0.0 110.422 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.497 1.9 0 O-C-N 120.912 -1.118 . . . . 0.0 108.868 -179.868 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -67.96 -23.58 65.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.412 -0.805 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -59.74 -45.97 90.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.905 -1.122 . . . . 0.0 110.048 -178.564 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -39.31 93.85 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 8.6 t-105 -60.01 -48.47 81.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.514 -0.741 . . . . 0.0 109.399 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -59.75 -40.2 87.34 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -87.12 -2.07 58.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.743 . . . . 0.0 109.539 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.67 155.15 39.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 108.799 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 t -70.06 155.12 41.05 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.7 -39.89 90.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.373 -0.829 . . . . 0.0 110.0 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.03 -39.86 91.37 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.369 -0.832 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.79 -40.65 97.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.094 -1.004 . . . . 0.0 110.446 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -66.3 -39.95 89.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.0 109.222 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.93 92.25 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.581 -0.7 . . . . 0.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.99 -46.55 89.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.245 -0.909 . . . . 0.0 108.684 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.09 84.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.175 -0.953 . . . . 0.0 109.073 179.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.95 -40.89 90.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.289 -0.882 . . . . 0.0 110.36 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -66.18 -39.99 90.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.502 -0.749 . . . . 0.0 110.605 -178.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -81.44 -10.09 59.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.191 -0.943 . . . . 0.0 111.372 -178.444 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.2 tp -73.7 -46.95 7.12 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.369 -1.457 . . . . 0.0 111.807 -178.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.0 Cg_endo -67.19 -25.42 43.24 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 121.725 1.616 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.27 62.32 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.069 . . . . 0.0 109.131 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.3 -40.28 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.199 -0.938 . . . . 0.0 109.102 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.0 -40.24 90.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.996 -1.065 . . . . 0.0 109.964 -179.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.7 89.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.32 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 46.3 t0 -59.2 -40.97 87.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.78 179.518 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.29 -44.39 95.41 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.326 -0.95 . . . . 0.0 108.818 179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.02 -40.0 94.24 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.616 -0.678 . . . . 0.0 110.895 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.927 . . . . 0.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.59 -37.96 83.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.28 -0.888 . . . . 0.0 109.797 -179.285 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.5 -3.69 12.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.626 -0.671 . . . . 0.0 109.408 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.24 30.73 62.34 Favored Glycine 0 N--CA 1.499 2.86 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.111 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.51 147.17 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -1.105 . . . . 0.0 108.703 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.3 t -58.36 139.45 55.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.291 -178.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 p -56.51 -45.21 81.2 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 -179.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.91 -46.34 89.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.989 -1.069 . . . . 0.0 108.649 -179.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.4 m -67.27 -45.31 77.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 109.058 179.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.01 75.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.433 -0.792 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.71 -39.81 80.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.188 -0.945 . . . . 0.0 109.842 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.757 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.9 m -63.6 -46.45 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 109.143 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.52 -42.8 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.316 -0.865 . . . . 0.0 108.671 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.39 -29.41 70.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 178.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.61 -53.45 9.92 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.64 -1.784 . . . . 0.0 108.64 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -67.84 -40.95 83.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' ' O ' ' A' ' 135' ' ' ALA . 85.7 m-85 -99.5 133.57 43.63 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.927 -1.108 . . . . 0.0 109.367 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -81.1 61.25 4.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 108.835 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -130.18 159.64 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.217 -0.927 . . . . 0.0 109.83 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -73.25 129.48 38.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.99 85.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.017 -1.052 . . . . 0.0 109.114 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.3 m -63.41 -40.17 96.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 110.991 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.4 m -64.76 -50.69 65.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 -179.303 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.22 -40.18 89.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.418 -0.801 . . . . 0.0 110.543 -179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -60.51 -48.71 80.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 110.199 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 50.3 t0 -60.64 -45.72 93.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.0 110.271 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.414 -0.804 . . . . 0.0 109.792 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.9 -43.92 94.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 0.0 110.033 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.78 -36.88 76.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.646 -1.284 . . . . 0.0 108.631 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.43 -40.35 90.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 110.781 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.02 -15.02 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 110.009 -179.038 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.07 -39.17 81.3 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.477 -0.764 . . . . 0.0 110.288 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -77.35 -9.53 58.9 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.943 -178.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -111.88 144.47 41.14 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.411 -0.805 . . . . 0.0 110.848 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -59.87 144.87 47.63 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.906 0.86 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 33.3 mttp -52.09 -50.09 80.76 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.472 -0.768 . . . . 0.0 112.598 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 9.6 Cg_endo -51.88 -30.48 38.99 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.407 1.405 . . . . 0.0 112.825 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 4.5 p30 -89.35 -1.07 57.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.228 -0.92 . . . . 0.0 109.699 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -58.79 -39.75 82.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.106 -0.996 . . . . 0.0 109.613 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.66 92.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.837 -1.164 . . . . 0.0 108.002 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.4 75.59 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.654 -0.654 . . . . 0.0 109.27 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.63 87.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.271 -179.387 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 32.2 mt -74.55 -2.36 25.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.028 -1.045 . . . . 0.0 110.702 -178.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.492 1.653 0 O-C-N 120.721 -1.237 . . . . 0.0 109.187 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.39 140.09 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.303 -0.873 . . . . 0.0 109.181 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.14 -110.09 0.15 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.426 -0.796 . . . . 0.0 110.142 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -166.29 70.07 1.14 Allowed Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -69.89 150.01 66.87 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 121.499 1.466 . . . . 0.0 112.046 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.7 141.59 56.68 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.652 -0.655 . . . . 0.0 110.823 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.6 mt -91.32 124.89 35.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 108.483 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 44.8 mt-10 -117.94 -108.39 0.37 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.36 -0.838 . . . . 0.0 111.375 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.468 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -53.23 144.43 15.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' ND1' ' NE ' ' A' ' 89' ' ' ARG . 46.2 m-70 -147.06 64.16 1.17 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.978 . . . . 0.0 111.66 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.51 -39.57 91.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -121.76 146.94 46.55 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.06 122.0 17.31 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 109.052 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.632 ' CD ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -88.92 -23.26 22.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.52 -0.738 . . . . 0.0 109.071 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.91 -37.94 80.9 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.274 -0.891 . . . . 0.0 109.805 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.62 97.6 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.128 -0.982 . . . . 0.0 108.492 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.67 -46.77 88.3 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -69.17 -30.45 68.67 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.413 -0.805 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -59.98 -40.24 88.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.011 -1.055 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.13 -40.41 94.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.199 -0.938 . . . . 0.0 108.709 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.588 ' NE1' ' NH1' ' A' ' 104' ' ' ARG . 5.2 t-105 -60.17 -49.72 76.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.45 -0.781 . . . . 0.0 108.928 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.69 -33.2 54.62 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.196 -0.94 . . . . 0.0 109.961 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -87.32 -3.15 59.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.59 150.75 46.73 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.324 -0.86 . . . . 0.0 109.339 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 t -71.04 159.93 33.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.118 -0.989 . . . . 0.0 109.191 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.01 -39.1 84.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.547 -0.72 . . . . 0.0 109.927 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.8 t -60.66 -40.7 93.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.87 -39.93 91.04 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.1 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.588 ' NH1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 mtt-85 -60.54 -40.08 90.22 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.154 -0.966 . . . . 0.0 108.824 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.12 -41.87 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.549 -0.72 . . . . 0.0 110.177 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.21 -50.0 75.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.051 -1.031 . . . . 0.0 109.364 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.04 93.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 0.0 109.891 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.0 -39.67 86.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.462 -0.774 . . . . 0.0 109.612 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -88.88 -4.16 58.55 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.889 -1.132 . . . . 0.0 113.711 -177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 8.0 tp -76.33 -38.41 2.29 Favored Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 119.561 -1.962 . . . . 0.0 111.525 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 11.9 Cg_exo -69.27 -31.55 22.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.55 -40.0 57.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 110.324 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.4 t -67.07 -47.41 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.845 -1.16 . . . . 0.0 108.771 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.91 -40.17 94.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.111 -0.993 . . . . 0.0 109.612 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.39 92.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.684 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.17 90.1 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 110.196 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.52 -42.07 91.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.9 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 99.0 mt-10 -63.2 -39.99 96.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.512 -0.742 . . . . 0.0 109.408 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.7 mmm -62.4 -40.03 95.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.844 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.6 -39.55 94.67 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.22 -0.925 . . . . 0.0 111.235 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.6 p30 -65.17 -18.64 65.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.77 -1.206 . . . . 0.0 110.867 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.53 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 59.1 tt0 -81.15 -4.04 54.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 108.974 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.26 25.16 75.13 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.617 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.33 147.59 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.261 . . . . 0.0 108.571 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.9 p -56.46 141.53 42.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.097 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -59.36 -39.98 85.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.404 -0.81 . . . . 0.0 110.264 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -58.92 -47.73 83.97 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.16 -0.962 . . . . 0.0 109.235 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -69.01 -41.9 77.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.194 -0.942 . . . . 0.0 109.498 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.459 -0.776 . . . . 0.0 110.204 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -69.29 -40.12 77.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.152 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.39 97.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.794 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.7 m -62.35 -46.44 88.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.074 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.35 -45.88 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.941 -1.099 . . . . 0.0 108.632 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.35 -33.54 73.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.525 -0.734 . . . . 0.0 109.033 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.53 -49.11 26.29 Favored Glycine 0 C--N 1.295 -1.701 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.81 -40.28 69.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.177 -1.19 . . . . 0.0 110.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.9 m-85 -99.27 137.84 37.21 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.085 -1.009 . . . . 0.0 108.843 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -84.81 61.02 6.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.835 -1.165 . . . . 0.0 109.165 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.95 160.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.474 -0.766 . . . . 0.0 109.16 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.9 t -72.65 128.38 35.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.73 91.93 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.044 -1.035 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.9 m -62.01 -40.06 94.37 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.916 -1.115 . . . . 0.0 110.362 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 57.7 m -62.81 -49.12 76.21 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.231 -0.918 . . . . 0.0 110.358 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.55 -40.15 90.52 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.327 -0.858 . . . . 0.0 110.148 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.21 -49.19 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.953 -1.092 . . . . 0.0 109.655 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.51 -41.15 93.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.156 -0.965 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -68.28 -37.27 80.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -59.89 -47.39 85.97 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -69.78 -37.5 76.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.957 -1.09 . . . . 0.0 109.954 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.976 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.99 -10.95 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.45 -1.406 . . . . 0.0 109.956 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -38.67 83.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 109.553 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -75.89 -11.51 59.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 110.241 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.86 155.92 18.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.939 -1.101 . . . . 0.0 110.164 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -52.19 149.99 4.91 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.584 0.707 . . . . 0.0 109.134 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.9 ttpp -66.49 -40.7 35.45 Favored Pre-proline 0 C--N 1.299 -1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 111.992 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 97.0 Cg_endo -80.13 -21.88 7.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.713 1.609 . . . . 0.0 113.952 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 35.9 p-10 -82.12 4.88 21.47 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.545 -1.347 . . . . 0.0 108.856 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 31.5 m0 -58.65 -40.75 84.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.97 89.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.337 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.36 -39.98 64.76 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.352 -0.843 . . . . 0.0 109.34 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.531 -0.73 . . . . 0.0 110.686 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.22 -9.18 58.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.879 -1.138 . . . . 0.0 109.6 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.3 p -72.56 -7.86 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.989 -1.07 . . . . 0.0 108.935 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -80.96 149.39 29.38 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.302 -0.874 . . . . 0.0 109.522 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.72 -135.62 0.01 OUTLIER Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -79.14 166.88 21.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.269 -1.136 . . . . 0.0 108.626 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -42.71 140.88 2.09 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.46 126.98 31.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -1.144 . . . . 0.0 109.887 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 32.1 t -63.7 -41.52 98.11 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.233 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -67.33 129.23 39.23 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -9.78 34.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 109.995 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.441 ' OD1' ' OXT' ' A' ' 174' ' ' ASN . 34.1 p-10 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.525 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.634 0.73 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 77' ' ' ILE . 59.7 mt -59.63 141.22 16.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.357 -0.839 . . . . 0.0 109.839 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 149.62 47.32 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.811 -1.181 . . . . 0.0 108.385 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.69 ' H ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -59.96 149.15 74.88 Favored Pre-proline 0 N--CA 1.485 1.283 0 C-N-CA 118.288 -1.365 . . . . 0.0 109.9 -179.101 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -70.43 150.02 63.51 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 122.763 2.309 . . . . 0.0 111.635 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.3 m -69.11 148.24 50.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -138.04 114.06 10.0 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.202 -1.561 . . . . 0.0 110.175 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -172.65 -55.11 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.088 -1.008 . . . . 0.0 110.623 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.33 111.03 22.76 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.288 -0.883 . . . . 0.0 109.927 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.637 ' NE2' ' NH1' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -175.8 114.84 0.13 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.14 -0.975 . . . . 0.0 109.033 179.456 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -70.8 -17.54 62.76 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CB ' ' A' ' 85' ' ' HIS . 52.5 p90 -93.53 147.12 23.27 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.454 0.645 . . . . 0.0 109.515 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.03 126.63 30.09 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.945 -1.102 . . . . 0.0 108.095 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.637 ' NH1' ' NE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -69.37 -38.46 78.07 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.447 -0.783 . . . . 0.0 111.007 -178.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.92 -39.06 84.18 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.881 -1.137 . . . . 0.0 111.644 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.8 92.46 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 120.983 -1.073 . . . . 0.0 110.728 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.24 -49.66 63.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -68.66 -29.78 68.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.689 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.4 t -60.15 -40.67 90.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.372 -1.455 . . . . 0.0 109.14 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.503 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 2.3 t-105 -60.13 -43.37 95.73 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.283 -0.886 . . . . 0.0 109.617 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.15 -39.71 83.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -80.42 -6.79 58.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.931 . . . . 0.0 109.184 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.62 153.52 42.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.093 -1.004 . . . . 0.0 109.501 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.4 p -75.88 164.82 25.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 30.4 p-10 -60.05 -40.19 88.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.536 ' HG ' ' N ' ' A' ' 103' ' ' GLN . 93.5 p -60.03 -39.58 86.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.0 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' N ' ' HG ' ' A' ' 102' ' ' SER . 73.1 mt-30 -66.64 -40.24 88.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.264 -0.898 . . . . 0.0 111.149 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.2 mtm180 -64.52 -41.39 96.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.56 -1.338 . . . . 0.0 110.99 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.53 -37.35 77.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.643 -1.285 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.18 -46.9 88.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.904 -1.122 . . . . 0.0 108.685 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.11 94.45 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.77 -38.19 84.43 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.37 -0.831 . . . . 0.0 109.236 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.37 -37.37 80.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.162 -0.961 . . . . 0.0 111.144 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -86.71 -7.93 57.86 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.929 -1.107 . . . . 0.0 113.222 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 26.0 tp -76.82 -36.21 1.58 Allowed Pre-proline 0 N--CA 1.506 2.371 0 O-C-N 119.502 -1.998 . . . . 0.0 112.463 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.3 Cg_exo -67.69 -32.71 29.74 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.62 2.213 . . . . 0.0 112.165 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.75 60.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -0.942 . . . . 0.0 109.717 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.78 -41.97 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.958 . . . . 0.0 108.854 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.35 -43.69 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.056 -1.027 . . . . 0.0 109.685 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.91 86.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 0.0 110.563 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.4 90.35 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.185 -0.947 . . . . 0.0 110.373 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.09 -41.48 92.56 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.928 -1.107 . . . . 0.0 109.378 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.8 -45.65 88.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.208 -0.932 . . . . 0.0 109.595 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.3 mtt -64.58 -40.14 94.99 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.949 -1.094 . . . . 0.0 110.012 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.67 -36.94 84.5 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.59 -0.694 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.1 -35.92 76.28 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.11 -0.994 . . . . 0.0 110.34 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.97 -1.33 9.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.131 -0.981 . . . . 0.0 108.79 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 36.06 55.43 Favored Glycine 0 N--CA 1.493 2.451 0 O-C-N 121.352 -0.842 . . . . 0.0 111.263 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.85 145.35 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -53.09 130.04 32.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.95 -1.094 . . . . 0.0 109.518 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -54.11 -44.59 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.437 -0.789 . . . . 0.0 110.48 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -59.81 -47.63 84.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 0.0 109.045 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.5 m -66.16 -44.81 83.03 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.49 69.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.434 -0.791 . . . . 0.0 110.414 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.84 -39.34 87.58 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.927 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.61 88.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 0.0 109.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -61.77 -40.28 94.63 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.053 -1.029 . . . . 0.0 110.128 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.06 -46.81 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.5 -31.22 72.32 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.315 -0.866 . . . . 0.0 108.712 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.83 -50.82 33.03 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.54 -44.09 45.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.972 . . . . 0.0 110.073 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.2 m-85 -93.7 139.26 31.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -83.93 63.13 7.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.921 -1.112 . . . . 0.0 109.508 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.13 156.97 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.2 m -74.41 131.61 41.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.059 -1.026 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.09 84.9 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.639 0.733 . . . . 0.0 109.051 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -67.47 -42.1 83.56 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.583 -0.698 . . . . 0.0 110.474 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.7 m -65.07 -47.5 77.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.441 -1.412 . . . . 0.0 109.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.5 -42.15 95.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.886 . . . . 0.0 109.382 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.04 -50.21 74.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.148 -0.97 . . . . 0.0 110.585 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -64.25 -43.03 96.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.225 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -61.99 -39.12 91.14 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.513 -0.742 . . . . 0.0 109.701 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -58.93 -47.07 86.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.834 -1.166 . . . . 0.0 110.368 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -60.54 -39.91 89.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.998 -1.064 . . . . 0.0 110.64 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.97 -40.5 93.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 111.178 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.48 -8.46 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.022 -1.049 . . . . 0.0 110.542 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.48 -38.66 81.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 0.0 109.929 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.93 -3.92 44.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.613 -0.68 . . . . 0.0 109.437 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.47 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 66.1 m-85 -110.6 142.68 42.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.608 -0.682 . . . . 0.0 110.275 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.534 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.57 147.98 25.42 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.569 -0.707 . . . . 0.0 109.991 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 33.5 mmtm -60.24 -39.8 71.58 Favored Pre-proline 0 N--CA 1.502 2.152 0 O-C-N 120.818 -1.176 . . . . 0.0 111.403 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 34.5 Cg_exo -59.8 -36.65 90.55 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.271 1.981 . . . . 0.0 112.993 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 6.3 p-10 -89.06 0.4 56.73 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.639 -1.288 . . . . 0.0 111.046 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.3 m0 -59.38 -40.13 85.56 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.668 -1.27 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.09 86.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.152 . . . . 0.0 109.614 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.08 -39.91 75.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.84 . . . . 0.0 109.591 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.96 88.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.987 -1.071 . . . . 0.0 110.409 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 98.6 mt -71.04 -1.79 13.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 110.452 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.3 -36.1 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.939 -1.1 . . . . 0.0 109.681 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -82.36 165.72 20.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.21 -0.931 . . . . 0.0 109.701 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -176.06 19.2 0.04 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -84.07 131.17 34.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -1.159 . . . . 0.0 109.048 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -171.52 -119.83 0.53 Allowed Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.29 151.23 39.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.21 -1.17 . . . . 0.0 108.868 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.1 t -79.15 109.59 13.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 110.596 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -64.78 -39.44 93.61 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.5 144.2 26.01 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.242 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 34.8 m120 . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.516 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.7 mtp . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.571 ' O ' ' O ' ' A' ' 76' ' ' MET . 43.2 mt 52.14 129.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 CA-C-O 122.198 0.999 . . . . 0.0 110.264 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 153.44 43.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 119.726 -1.859 . . . . 0.0 108.393 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.0 145.41 84.75 Favored Pre-proline 0 N--CA 1.477 0.884 0 O-C-N 119.695 -1.878 . . . . 0.0 106.824 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -69.31 149.25 69.53 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.21 1.273 . . . . 0.0 110.884 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.3 m -101.38 138.62 38.15 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.833 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 1.3 mm? -115.76 100.11 7.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.788 -1.195 . . . . 0.0 108.935 177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -149.83 -108.97 0.07 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.711 -1.243 . . . . 0.0 110.109 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.55 57.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CE1' ' CG ' ' A' ' 89' ' ' ARG . 33.9 m-70 -142.62 106.23 4.65 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.35 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.96 -1.11 40.72 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -145.6 -163.72 1.79 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.19 125.04 52.92 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 121.094 -1.004 . . . . 0.0 110.394 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' HD3' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.18 -43.19 96.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.087 -1.008 . . . . 0.0 111.106 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.453 ' O ' ' OG ' ' A' ' 94' ' ' SER . 79.8 mm-40 -60.18 -41.37 92.76 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.768 -1.208 . . . . 0.0 110.428 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.27 84.45 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.824 -1.173 . . . . 0.0 109.766 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.84 -54.92 17.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.179 -0.951 . . . . 0.0 109.929 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.003 -1.061 . . . . 0.0 111.12 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 70.7 m -60.02 -39.64 86.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.912 -1.117 . . . . 0.0 109.764 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.23 -40.36 93.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.7 -1.25 . . . . 0.0 109.365 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.5 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.29 -45.64 92.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.016 -1.053 . . . . 0.0 108.788 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 63.0 t0 -59.17 -39.78 83.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.439 -0.788 . . . . 0.0 109.496 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -85.5 -4.01 59.03 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.604 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.87 150.52 48.47 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.423 -0.798 . . . . 0.0 109.25 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.7 p -71.22 161.89 30.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.664 -1.272 . . . . 0.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.12 -40.09 88.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.954 -1.091 . . . . 0.0 110.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -59.01 -39.49 82.02 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.817 -1.177 . . . . 0.0 109.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.41 -40.36 93.29 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.059 -1.026 . . . . 0.0 109.784 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.502 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 94.5 mtt180 -67.73 -40.72 84.16 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.037 -1.039 . . . . 0.0 109.471 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' NH1' ' HG3' ' A' ' 105' ' ' ARG . 37.6 ttm-85 -63.42 -39.73 95.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.03 -43.26 95.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.326 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.61 98.26 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.941 -1.099 . . . . 0.0 109.81 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.345 -0.847 . . . . 0.0 109.268 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -67.39 -33.99 76.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.591 -0.693 . . . . 0.0 111.272 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.27 -10.47 52.3 Favored 'General case' 0 N--CA 1.516 2.852 0 O-C-N 120.645 -1.285 . . . . 0.0 113.551 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 10.1 tp -75.85 -38.64 2.59 Favored Pre-proline 0 N--CA 1.512 2.645 0 O-C-N 119.62 -1.925 . . . . 0.0 111.033 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 32.3 Cg_exo -59.14 -33.26 98.29 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.622 2.215 . . . . 0.0 112.199 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.15 -44.85 28.77 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.478 -1.389 . . . . 0.0 110.425 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.6 -42.83 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.743 -1.223 . . . . 0.0 109.043 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.28 -42.98 92.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.477 -0.764 . . . . 0.0 110.217 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.008 -1.057 . . . . 0.0 109.77 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.97 94.16 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.456 -0.778 . . . . 0.0 110.14 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 58.8 t0 -59.77 -41.51 91.24 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.109 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.56 -43.25 97.48 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.862 -1.149 . . . . 0.0 109.646 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.04 -39.83 91.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.625 -0.672 . . . . 0.0 110.62 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.43 -28.21 69.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.813 -1.179 . . . . 0.0 109.39 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.77 -27.71 68.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.983 -1.073 . . . . 0.0 109.176 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -80.22 -2.8 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.581 -0.7 . . . . 0.0 109.139 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.39 33.35 61.49 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.162 -1.018 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.97 139.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -1.034 . . . . 0.0 108.481 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.4 p -51.81 141.39 17.32 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.995 -1.066 . . . . 0.0 109.856 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -57.5 -43.26 84.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.133 -0.979 . . . . 0.0 111.091 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.95 -46.15 90.34 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.79 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -69.18 -41.24 77.46 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 120.884 -1.135 . . . . 0.0 109.241 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.55 69.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.557 -0.715 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -67.7 -39.58 84.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.222 . . . . 0.0 110.484 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.67 76.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.465 -1.397 . . . . 0.0 108.504 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.198 0.523 . . . . 0.0 110.811 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.17 -40.68 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.856 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.66 -24.53 64.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.07 -1.019 . . . . 0.0 109.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.65 -49.08 19.94 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -73.8 -41.71 61.98 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -1.101 . . . . 0.0 109.09 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.7 m-85 -98.38 133.24 43.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.517 -0.739 . . . . 0.0 109.051 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -80.47 62.2 4.48 Favored 'General case' 0 C--O 1.2 -1.524 0 O-C-N 120.893 -1.129 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.12 150.46 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.9 t -68.38 130.59 43.33 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.567 0.698 . . . . 0.0 110.038 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.86 91.72 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.152 -0.967 . . . . 0.0 110.717 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.0 m -63.27 -39.96 96.05 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.63 -0.669 . . . . 0.0 110.106 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.0 m -66.91 -49.84 64.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.491 -1.38 . . . . 0.0 110.905 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.67 -40.93 89.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.948 -1.095 . . . . 0.0 109.632 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -59.72 -49.88 76.03 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.379 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.31 -40.69 95.13 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.781 -1.2 . . . . 0.0 109.466 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.496 ' HZ3' ' CD2' ' A' ' 164' ' ' LEU . 8.4 mtpm? -69.77 -35.36 74.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 0.0 110.545 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.72 -47.58 85.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.839 -1.163 . . . . 0.0 110.391 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -70.44 -35.43 73.35 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.317 -0.864 . . . . 0.0 109.977 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.709 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.13 -9.08 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.55 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.18 -40.77 86.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.45 -10.43 59.46 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.955 -1.09 . . . . 0.0 110.155 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -102.46 142.03 34.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.182 -0.949 . . . . 0.0 109.093 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.36 145.96 49.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 14.3 mttm -52.92 -49.95 84.32 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 53.6 Cg_exo -49.65 -34.93 36.52 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.336 2.024 . . . . 0.0 113.075 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -88.13 -4.07 58.8 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -58.25 -39.66 79.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.657 -1.277 . . . . 0.0 109.933 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.05 72.84 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.873 -1.131 . . . . 0.0 109.248 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.96 -40.22 65.53 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.047 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.88 83.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.162 -0.961 . . . . 0.0 110.204 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 166' ' ' ASP . 80.4 mt -72.54 -0.98 14.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.534 -0.729 . . . . 0.0 109.988 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.31 16.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 120.876 -1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' A' ' 164' ' ' LEU . 90.8 m-20 -84.5 139.89 31.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.876 . . . . 0.0 109.341 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -80.7 -122.94 0.52 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -83.71 124.56 30.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.669 -0.901 . . . . 0.0 110.055 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -98.84 -0.32 57.57 Favored Glycine 0 N--CA 1.506 3.324 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.57 135.91 40.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.392 -1.063 . . . . 0.0 109.736 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 85.9 p -147.35 159.52 43.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.908 -1.12 . . . . 0.0 109.567 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 42.4 mtm-85 -98.75 138.6 35.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.172 -0.955 . . . . 0.0 109.364 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -88.77 -19.3 26.19 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.839 178.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.8 mtt . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.01 -34.02 55.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.15 143.92 20.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.075 -1.016 . . . . 0.0 109.358 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -70.0 150.07 96.29 Favored Pre-proline 0 N--CA 1.502 2.127 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -69.7 150.01 68.0 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 120.623 0.882 . . . . 0.0 112.146 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -167.49 68.98 0.09 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 9.2 mp -104.02 45.84 0.94 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -111.93 -24.15 10.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.504 -0.748 . . . . 0.0 109.298 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -104.58 -32.98 8.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.651 -0.655 . . . . 0.0 110.164 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -40.8 94.91 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 -178.501 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ALA . 56.1 t0 -58.57 -30.44 67.16 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 13.9 p90 -95.06 -138.37 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 18.1 p-10 -132.72 97.07 3.95 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.07 -1.018 . . . . 0.0 110.727 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.03 -32.52 74.04 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.83 . . . . 0.0 110.553 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -58.41 -39.96 81.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.777 -1.202 . . . . 0.0 109.681 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.02 95.57 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.731 -1.231 . . . . 0.0 108.201 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.15 -49.92 75.72 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.321 0.581 . . . . 0.0 109.88 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -64.42 -32.95 74.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -59.91 -39.33 85.05 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.805 -1.184 . . . . 0.0 107.923 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.178 -0.951 . . . . 0.0 108.91 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.455 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.6 t-105 -60.4 -49.32 78.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.006 -1.059 . . . . 0.0 109.529 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -58.18 -38.93 77.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.384 -0.823 . . . . 0.0 110.009 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.482 HD21 ' N ' ' A' ' 98' ' ' ASN . 2.1 m120 -81.67 -3.38 53.4 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.92 -1.113 . . . . 0.0 109.317 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.47 154.32 42.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.49 -0.756 . . . . 0.0 109.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 p -73.22 160.26 32.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.271 -0.893 . . . . 0.0 109.915 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.26 -40.01 88.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.744 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.5 t -60.01 -40.01 87.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 110.079 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.02 -40.52 95.98 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.147 -0.971 . . . . 0.0 110.354 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -66.05 -39.97 90.55 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.319 -0.863 . . . . 0.0 109.622 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.3 -39.92 88.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 110.605 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.19 -50.28 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.084 -1.01 . . . . 0.0 109.117 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.27 96.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.0 109.797 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.367 0.603 . . . . 0.0 109.489 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.24 -39.35 86.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 111.298 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -85.82 -8.99 57.75 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.934 -1.104 . . . . 0.0 113.584 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 23.7 tp -74.76 -36.94 2.57 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 119.461 -2.025 . . . . 0.0 112.293 -177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.1 Cg_exo -64.03 -32.57 64.53 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.146 1.897 . . . . 0.0 112.388 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.61 53.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.38 -0.825 . . . . 0.0 110.485 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -44.58 79.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.121 -0.987 . . . . 0.0 110.199 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -65.17 -42.23 93.87 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.784 -1.197 . . . . 0.0 110.37 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.49 90.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.141 -0.974 . . . . 0.0 109.975 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.65 94.65 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -59.91 -44.16 94.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.738 . . . . 0.0 109.439 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.05 -40.77 94.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.115 -0.991 . . . . 0.0 109.252 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.31 -40.14 89.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.324 -0.86 . . . . 0.0 109.738 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.53 -30.71 70.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.618 -0.676 . . . . 0.0 109.705 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.52 -40.16 90.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -73.46 -3.06 25.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.87 -1.144 . . . . 0.0 108.573 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.81 41.41 42.02 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.234 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 79.7 mt -78.6 145.04 10.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.026 -1.279 . . . . 0.0 108.808 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -51.01 138.18 19.96 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.032 -1.042 . . . . 0.0 110.005 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 p -58.8 -46.0 88.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.572 -0.705 . . . . 0.0 110.466 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -60.03 -47.81 84.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.919 -1.113 . . . . 0.0 109.272 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.8 m -66.51 -43.81 84.26 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.335 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.65 80.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.332 -0.855 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.6 -40.08 80.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.646 -1.284 . . . . 0.0 109.168 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.76 92.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.124 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.7 m -62.55 -44.99 94.98 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.835 -1.165 . . . . 0.0 109.5 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.62 -42.96 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.238 -0.914 . . . . 0.0 109.207 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.37 -30.4 70.78 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.554 -1.341 . . . . 0.0 109.198 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.04 10.96 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.56 -41.75 83.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.693 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 135' ' ' ALA . 93.5 m-85 -101.86 132.75 47.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.282 -0.886 . . . . 0.0 109.36 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -81.93 66.63 7.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.746 -1.221 . . . . 0.0 108.907 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.07 155.31 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.788 -0.57 . . . . 0.0 109.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t -70.34 130.0 40.8 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.187 -0.946 . . . . 0.0 109.24 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.317 -0.865 . . . . 0.0 108.942 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.4 t -64.41 -40.87 96.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.2 m -65.78 -46.59 78.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.521 -1.362 . . . . 0.0 108.576 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.07 -40.87 91.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 146' ' ' ARG . 28.5 ttt-85 -60.08 -50.63 72.96 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.201 -0.937 . . . . 0.0 110.49 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -59.97 -42.14 93.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.902 -1.124 . . . . 0.0 110.47 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.98 -34.28 76.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 110.259 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.94 -48.7 80.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.865 -1.147 . . . . 0.0 110.473 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -69.96 -35.15 74.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.908 -1.12 . . . . 0.0 110.478 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.803 -1.186 . . . . 0.0 110.604 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.38 -15.5 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.801 -1.187 . . . . 0.0 110.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.377 -0.827 . . . . 0.0 109.755 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.04 -4.04 42.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.001 -1.062 . . . . 0.0 110.099 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.65 152.54 24.67 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.45 140.34 57.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.285 -0.884 . . . . 0.0 108.781 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -57.91 -40.82 86.44 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.9 -1.125 . . . . 0.0 110.7 -178.096 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.3 Cg_exo -62.43 -30.19 79.96 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.116 1.877 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -88.8 -0.82 57.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.199 -0.938 . . . . 0.0 110.628 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -57.47 -39.35 76.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.139 -0.976 . . . . 0.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.01 84.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.69 -1.256 . . . . 0.0 109.536 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.68 -39.29 52.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.61 80.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 0.0 110.473 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.67 -39.45 91.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.823 -1.173 . . . . 0.0 109.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.45 -40.08 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.745 -1.222 . . . . 0.0 110.36 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -86.13 109.95 19.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.953 -1.092 . . . . 0.0 109.267 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -87.74 112.61 3.88 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -86.87 121.46 29.38 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -1.109 . . . . 0.0 108.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -88.16 -138.28 6.04 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.13 109.94 12.66 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.535 -0.979 . . . . 0.0 108.783 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 80.0 p -75.87 -39.73 55.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.677 -0.64 . . . . 0.0 110.148 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -99.26 131.41 45.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.249 -0.907 . . . . 0.0 108.647 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -96.68 118.88 34.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.294 -0.879 . . . . 0.0 109.452 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.085 -1.009 . . . . 0.0 109.509 179.339 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.97 -37.91 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.841 -1.162 . . . . 0.0 110.311 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.23 134.6 44.35 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.864 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -66.77 145.38 98.92 Favored Pre-proline 0 C--N 1.296 -1.738 0 O-C-N 120.772 -1.205 . . . . 0.0 107.953 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -60.04 -30.0 90.54 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 CA-C-N 120.926 1.366 . . . . 0.0 109.545 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.2 m -71.36 149.53 45.93 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 51.0 mt -136.11 92.64 2.81 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -155.28 -30.33 0.1 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.218 -0.926 . . . . 0.0 110.205 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.33 -14.04 10.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.876 -1.14 . . . . 0.0 109.137 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -121.53 138.71 54.18 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -89.35 10.03 23.94 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 6.4 p90 -134.3 87.11 2.33 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 12.1 p-10 -85.42 99.1 10.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.702 -1.249 . . . . 0.0 109.288 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -90.79 103.04 15.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 94' ' ' SER . 98.9 mt-10 -68.39 -39.97 81.51 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.54 98.68 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.16 0.505 . . . . 0.0 110.676 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.97 -55.6 31.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.805 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.0 -34.54 73.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 70.1 m -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.854 -1.154 . . . . 0.0 109.623 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.57 -40.07 94.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 108.982 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -60.06 -47.31 86.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.72 . . . . 0.0 110.07 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -58.94 -40.02 83.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.995 -1.066 . . . . 0.0 108.946 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.01 -0.21 57.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.396 -0.815 . . . . 0.0 110.392 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.45 155.8 24.52 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.839 -1.163 . . . . 0.0 109.226 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 158.33 35.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.98 -1.075 . . . . 0.0 108.965 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -59.91 -39.98 87.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.39 -0.819 . . . . 0.0 110.082 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.9 p -59.96 -39.84 86.99 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.96 -42.1 97.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.435 -0.791 . . . . 0.0 110.742 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.411 ' CZ ' ' CB ' ' A' ' 104' ' ' ARG . 7.8 mtm-85 -65.17 -40.08 93.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.547 -1.345 . . . . 0.0 109.097 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -65.46 -39.74 92.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.93 -49.17 78.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 108.99 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.97 90.78 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.318 -0.864 . . . . 0.0 108.759 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.78 -40.09 91.28 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.613 -0.679 . . . . 0.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -68.28 -40.04 81.94 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.079 -1.013 . . . . 0.0 111.398 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -81.96 -8.93 59.7 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.8 tp -73.48 -49.08 6.8 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 120.798 -1.189 . . . . 0.0 111.747 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 46.3 Cg_endo -66.38 -26.08 48.44 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 CA-C-N 120.961 1.379 . . . . 0.0 112.639 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.38 -44.51 29.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.741 -1.225 . . . . 0.0 109.706 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -40.56 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.09 84.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.75 87.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.85 -43.4 94.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.112 -0.993 . . . . 0.0 109.122 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 85.9 tt0 -60.18 -41.55 93.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.058 -1.026 . . . . 0.0 110.068 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.6 mtp -72.76 -39.99 66.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.634 -1.291 . . . . 0.0 111.809 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.82 -40.01 96.06 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.001 -1.062 . . . . 0.0 111.051 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 5.5 p-10 -70.34 -12.65 61.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.8 -1.188 . . . . 0.0 109.328 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.5 0.27 50.39 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.099 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.49 24.21 76.64 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.0 mt -76.15 140.18 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.059 -1.26 . . . . 0.0 107.688 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -57.02 139.19 53.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.86 -1.15 . . . . 0.0 109.595 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -56.0 -42.27 76.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.328 -0.858 . . . . 0.0 110.218 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -59.87 -43.21 94.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.958 -1.089 . . . . 0.0 109.531 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -69.99 -44.29 69.68 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.817 -1.177 . . . . 0.0 109.761 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.66 76.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.22 -0.925 . . . . 0.0 110.388 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -68.22 -40.25 82.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.952 -1.093 . . . . 0.0 109.734 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.89 87.97 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.145 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 57.7 m -61.9 -45.65 92.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 0.0 109.716 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.17 -49.11 82.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.866 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.81 -35.94 79.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.449 -0.782 . . . . 0.0 109.325 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.21 -48.15 40.5 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.71 -41.6 71.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.962 -1.316 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.3 m-85 -101.0 136.29 41.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.453 -0.779 . . . . 0.0 109.499 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -82.49 65.19 7.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.733 -1.229 . . . . 0.0 108.949 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.04 159.88 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.305 -0.872 . . . . 0.0 109.441 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -72.64 129.1 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.052 -1.03 . . . . 0.0 109.882 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.04 87.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 t -67.65 -40.33 84.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.129 -0.982 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 60.2 m -61.04 -48.97 79.31 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.125 -0.985 . . . . 0.0 110.51 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.25 -41.41 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.269 -0.894 . . . . 0.0 110.375 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -59.92 -51.13 70.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 110.344 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.08 -40.14 92.56 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.808 -1.182 . . . . 0.0 111.059 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -68.61 -36.8 79.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.262 -0.899 . . . . 0.0 111.264 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.98 -47.73 84.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.772 -1.205 . . . . 0.0 109.335 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -61.1 -39.83 91.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.849 -1.157 . . . . 0.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.0 -40.13 88.14 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.887 -1.133 . . . . 0.0 111.049 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.72 -12.94 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.665 -1.272 . . . . 0.0 111.047 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -59.87 -33.26 71.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.112 . . . . 0.0 109.876 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.22 -24.53 61.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.943 . . . . 0.0 109.884 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -104.79 152.66 22.3 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.221 -0.924 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.9 45.89 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.402 -0.811 . . . . 0.0 110.519 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -49.46 -61.18 3.74 Favored Pre-proline 0 N--CA 1.487 1.42 0 O-C-N 121.625 -0.672 . . . . 0.0 110.783 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -30.45 -42.52 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.662 2.241 . . . . 0.0 114.46 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -88.87 0.42 56.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.749 -1.22 . . . . 0.0 111.271 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -57.8 -39.55 77.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.071 -1.018 . . . . 0.0 109.035 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.41 76.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.237 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.58 -38.26 48.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 110.345 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.21 80.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.195 -0.941 . . . . 0.0 110.458 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.57 -23.98 64.55 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.325 -0.86 . . . . 0.0 109.905 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.89 -41.31 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 109.905 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -94.32 131.05 40.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.057 -1.027 . . . . 0.0 110.203 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -95.01 -165.69 35.54 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -81.68 -9.51 59.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.193 -1.181 . . . . 0.0 108.774 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -152.3 133.9 4.31 Favored Glycine 0 N--CA 1.494 2.567 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -82.66 117.67 22.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.156 -1.202 . . . . 0.0 110.382 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 92.2 p -142.02 150.28 41.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.192 -0.942 . . . . 0.0 109.152 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -153.22 120.85 5.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 109.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.26 -11.91 31.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 109.026 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.121 -0.987 . . . . 0.0 108.667 179.309 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.27 141.68 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 121.202 -0.937 . . . . 0.0 110.111 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.05 -121.03 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 149.98 96.26 Favored Pre-proline 0 N--CA 1.491 1.579 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -69.72 149.04 66.64 Favored 'Trans proline' 0 N--CA 1.488 1.158 0 CA-C-O 122.466 0.944 . . . . 0.0 113.745 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.0 m -82.71 -11.46 58.31 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.608 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -92.9 147.95 22.42 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 122.383 1.087 . . . . 0.0 112.92 -176.053 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 85.8 tt0 -120.03 137.26 54.2 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.88 103.16 0.07 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.126 -0.983 . . . . 0.0 110.078 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.655 ' HD1' ' H ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -117.61 -93.29 0.51 Allowed 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.59 -13.44 59.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.325 -0.859 . . . . 0.0 110.292 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -153.83 164.49 38.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 109.277 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 41.3 p-10 -86.28 115.68 23.97 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.782 -1.199 . . . . 0.0 109.634 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -22.06 63.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.451 -0.781 . . . . 0.0 110.103 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.8 mm-40 -60.04 -39.97 87.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.545 -1.347 . . . . 0.0 109.861 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.62 98.91 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.487 -1.383 . . . . 0.0 109.905 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.53 -57.54 5.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.904 -1.123 . . . . 0.0 110.652 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -68.75 -27.27 65.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 27.3 t -59.96 -40.21 88.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.228 -1.545 . . . . 0.0 108.914 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -61.13 -40.24 93.06 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.918 -1.114 . . . . 0.0 108.251 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -62.37 -44.63 96.02 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.698 -0.626 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 47.7 t0 -59.44 -39.75 84.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.027 -1.046 . . . . 0.0 109.194 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -81.83 -4.95 57.71 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 109.893 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.09 156.17 38.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.579 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -71.37 154.39 41.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.024 -1.047 . . . . 0.0 109.759 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.9 p-10 -58.56 -40.44 83.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 109.59 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.568 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 24.1 t -60.51 -40.79 92.66 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.893 -1.129 . . . . 0.0 110.509 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -65.26 -41.02 94.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -66.33 -40.22 89.74 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.625 -1.297 . . . . 0.0 109.612 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 56.5 mtt-85 -64.22 -39.66 94.43 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.474 -0.767 . . . . 0.0 109.27 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.375 0.607 . . . . 0.0 110.199 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.63 90.42 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.883 -1.136 . . . . 0.0 109.019 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -40.15 88.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.743 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.32 -39.27 92.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.082 . . . . 0.0 110.006 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -84.1 -8.0 59.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.715 -0.615 . . . . 0.0 111.81 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.475 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 16.7 tp -73.58 -44.57 7.24 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.323 -1.485 . . . . 0.0 112.06 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.4 Cg_endo -68.6 -27.37 32.7 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 121.273 1.315 . . . . 0.0 113.542 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -39.91 59.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.909 -1.119 . . . . 0.0 109.707 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.42 -40.54 80.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.97 -1.082 . . . . 0.0 108.704 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -67.52 -41.5 84.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.308 -0.87 . . . . 0.0 108.804 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.68 97.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.337 -0.852 . . . . 0.0 110.092 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.63 93.67 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 0.0 110.329 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.34 -41.5 89.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.887 -1.133 . . . . 0.0 109.169 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.1 -39.73 93.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.646 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.8 mmt -64.62 -40.41 95.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.788 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.05 -39.7 93.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.751 -1.218 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.81 -20.72 63.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.093 -1.005 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -78.46 -4.02 46.34 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.07 20.02 77.63 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.552 -1.309 . . . . 0.0 110.883 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.428 HD11 HG22 ' A' ' 125' ' ' ILE . 72.5 mt -77.7 140.92 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.998 -1.295 . . . . 0.0 108.436 177.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 m -51.2 141.18 15.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.475 -0.765 . . . . 0.0 109.971 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -57.33 -43.88 83.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.238 -0.913 . . . . 0.0 110.043 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.06 -46.97 86.9 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.069 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 91.0 m -67.88 -40.66 83.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.781 -1.199 . . . . 0.0 108.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.36 58.86 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.127 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -70.07 -40.23 75.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.6 93.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.828 -0.545 . . . . 0.0 109.582 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.2 m -62.27 -42.3 99.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.038 -1.039 . . . . 0.0 109.473 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.47 -49.33 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.407 -0.808 . . . . 0.0 109.212 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.3 65.95 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.172 -0.955 . . . . 0.0 108.581 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.94 -43.49 57.83 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 107.799 -2.12 . . . . 0.0 107.799 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -80.01 -52.22 8.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.188 -1.183 . . . . 0.0 109.318 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -91.28 131.11 37.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.584 -0.697 . . . . 0.0 109.341 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -83.73 68.86 10.05 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.742 -1.224 . . . . 0.0 109.364 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -131.17 160.12 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.457 -0.777 . . . . 0.0 109.049 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.3 t -71.42 129.52 39.01 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.276 -0.89 . . . . 0.0 109.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.85 97.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 110.125 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.1 m -60.88 -40.07 91.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 110.227 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.38 -46.87 78.4 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.17 -45.22 93.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.473 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -60.07 -48.22 82.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.372 -0.83 . . . . 0.0 111.104 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 52.1 t0 -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.927 -1.108 . . . . 0.0 110.101 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -69.27 -35.77 76.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.629 -1.294 . . . . 0.0 111.191 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.723 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.403 ' O ' ' CG ' ' A' ' 153' ' ' GLN . 47.0 m-85 -62.46 -38.86 91.42 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.241 -0.912 . . . . 0.0 109.769 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.77 -39.69 85.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.049 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -77.45 -10.3 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.524 -1.36 . . . . 0.0 110.857 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.483 HE21 ' C ' ' A' ' 153' ' ' GLN . 0.0 OUTLIER -57.84 -28.91 64.54 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.894 -1.129 . . . . 0.0 110.436 -179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.36 -9.48 59.6 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.178 -0.951 . . . . 0.0 109.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -111.08 142.65 42.96 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.28 -0.887 . . . . 0.0 110.372 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -55.89 144.16 29.11 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 24.1 mmtm -50.13 -42.87 74.79 Favored Pre-proline 0 N--CA 1.506 2.342 0 O-C-N 120.917 -1.115 . . . . 0.0 111.055 -177.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 15.7 Cg_exo -69.02 -26.56 30.94 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.441 2.094 . . . . 0.0 112.234 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -87.28 -5.78 58.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.045 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -52.94 -24.32 9.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.164 -0.96 . . . . 0.0 109.617 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.16 90.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.827 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.69 -30.4 59.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 109.425 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.588 -0.695 . . . . 0.0 110.006 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.97 -38.72 86.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.88 -1.138 . . . . 0.0 109.879 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.06 -39.77 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.312 -0.868 . . . . 0.0 109.967 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -86.96 129.39 34.9 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.167 -0.958 . . . . 0.0 109.086 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -153.52 80.24 0.19 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 168' ' ' ARG . 30.5 mtt-85 -84.24 139.93 32.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.476 -1.014 . . . . 0.0 109.329 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -154.3 -100.26 0.18 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -77.06 142.53 39.8 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.4 -1.059 . . . . 0.0 110.104 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 25.6 m -82.02 117.45 22.23 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.526 -0.734 . . . . 0.0 109.235 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -156.85 162.5 39.69 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.667 -0.646 . . . . 0.0 109.608 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -90.75 140.59 29.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.166 -0.959 . . . . 0.0 109.092 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.167 -179.733 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 ttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.25 140.27 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 109.224 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.84 -99.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -163.7 63.62 1.22 Allowed Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 120.953 -1.092 . . . . 0.0 109.887 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -69.98 150.07 66.36 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 121.617 1.544 . . . . 0.0 108.914 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -62.97 140.65 58.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.825 -1.172 . . . . 0.0 111.699 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.37 117.7 5.27 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.559 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 97.2 mt-10 -93.17 142.09 27.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.802 -1.186 . . . . 0.0 108.972 -178.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 134.22 56.83 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.829 -1.169 . . . . 0.0 108.984 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.695 ' HD1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -172.21 -90.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.47 -178.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.641 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 46.6 t0 -61.87 -40.01 93.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.276 -0.89 . . . . 0.0 109.877 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -137.26 160.56 38.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.272 -0.893 . . . . 0.0 109.245 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -92.33 126.0 37.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 108.69 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -59.89 -44.09 94.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.176 -0.952 . . . . 0.0 110.05 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 96.2 mt-10 -60.53 -50.39 73.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.153 -0.967 . . . . 0.0 110.751 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.32 98.2 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.747 -1.22 . . . . 0.0 111.198 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.01 -59.96 2.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.946 -1.096 . . . . 0.0 110.887 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -67.92 -30.3 69.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 111.042 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 46.9 t -60.0 -40.35 88.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.271 -1.518 . . . . 0.0 108.541 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' HZ1' ' HB2' ' A' ' 95' ' ' LYS . 4.1 ttmp? -60.44 -41.78 94.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.929 -1.107 . . . . 0.0 108.566 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CE3' ' NH1' ' A' ' 104' ' ' ARG . 2.9 t-105 -64.07 -45.45 88.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.844 0.831 . . . . 0.0 109.114 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.08 -39.34 85.72 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 109.001 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.67 -0.06 56.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.896 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.54 160.75 32.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 109.693 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.7 t -70.07 146.25 51.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.144 -0.973 . . . . 0.0 109.348 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.0 -40.72 90.2 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.198 -0.938 . . . . 0.0 110.739 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.9 p -60.06 -39.87 87.47 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 109.815 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' HB3' HH21 ' A' ' 104' ' ' ARG . 23.2 mm100 -61.07 -36.89 80.83 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.623 ' N ' ' HE ' ' A' ' 104' ' ' ARG . 2.7 mmp_? -59.91 -43.07 95.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.142 -0.974 . . . . 0.0 109.199 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -60.6 -41.71 95.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.942 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.98 -49.12 78.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 109.171 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.85 95.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.96 -1.088 . . . . 0.0 108.95 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.66 -40.15 90.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.909 . . . . 0.0 109.963 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.06 -39.92 96.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 111.09 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.479 ' CE3' ' CE ' ' A' ' 148' ' ' LYS . 66.4 m95 -80.79 -9.95 59.77 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.15 -0.969 . . . . 0.0 111.434 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.472 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 13.5 tp -72.51 -46.25 9.96 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.415 -1.428 . . . . 0.0 112.232 -178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 33.7 Cg_endo -62.72 -25.13 74.89 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 CA-C-N 120.864 1.344 . . . . 0.0 112.72 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.6 -40.05 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.826 -1.171 . . . . 0.0 110.831 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.87 -47.77 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.061 . . . . 0.0 109.58 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -68.9 -39.92 79.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.882 -1.136 . . . . 0.0 109.737 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.39 95.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.6 91.39 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.528 -0.733 . . . . 0.0 109.208 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.91 -45.83 91.3 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.36 -0.837 . . . . 0.0 109.403 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.7 mt-10 -62.36 -39.97 94.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.7 mtt -70.11 -39.99 75.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.912 . . . . 0.0 110.955 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.89 -39.97 96.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.27 -0.894 . . . . 0.0 110.911 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 44.3 p30 -65.65 -19.72 66.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 110.142 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.548 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 24.8 tt0 -76.77 4.5 9.52 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.776 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 20.75 79.94 Favored Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.159 -0.963 . . . . 0.0 111.276 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 125' ' ' ILE . 94.0 mt -76.92 145.76 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.852 -1.381 . . . . 0.0 109.379 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -59.88 142.36 53.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 p -58.46 -44.87 89.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.99 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -59.98 -45.07 93.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.915 -1.116 . . . . 0.0 109.826 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.2 m -66.12 -44.44 84.24 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.788 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.89 66.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.64 -0.662 . . . . 0.0 110.314 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -66.1 -39.96 90.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.041 -1.037 . . . . 0.0 109.583 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.045 -1.035 . . . . 0.0 109.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.8 m -64.63 -42.42 95.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.035 -1.041 . . . . 0.0 110.07 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.69 -45.51 98.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.192 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.08 -28.64 68.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.209 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.27 -50.1 23.35 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -73.6 -41.76 62.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.004 -1.292 . . . . 0.0 109.076 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.3 m-85 -99.33 134.18 42.57 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.211 -0.931 . . . . 0.0 109.633 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -84.23 63.67 7.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.946 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.24 159.03 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.558 -0.714 . . . . 0.0 109.218 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 m -72.82 129.61 38.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.482 -0.761 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.41 -0.806 . . . . 0.0 109.698 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.5 m -60.73 -40.14 91.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.066 -1.021 . . . . 0.0 110.363 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 m -66.17 -44.56 83.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.104 -0.998 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -40.44 88.83 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.296 -0.878 . . . . 0.0 110.198 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -60.06 -47.32 86.37 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.743 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -60.05 -41.21 91.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.805 -1.184 . . . . 0.0 110.9 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.479 ' CE ' ' CE3' ' A' ' 110' ' ' TRP . 15.7 mtmm -69.92 -38.39 76.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 111.796 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -59.83 -41.63 91.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.788 -1.195 . . . . 0.0 110.651 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -71.35 -37.92 71.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.728 -1.233 . . . . 0.0 109.155 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -40.6 95.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.561 -0.712 . . . . 0.0 110.994 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -80.74 -12.0 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.315 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.67 -38.8 82.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.159 -0.963 . . . . 0.0 109.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -77.5 -9.22 58.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.002 -1.061 . . . . 0.0 109.907 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.48 152.63 22.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.136 -0.977 . . . . 0.0 110.269 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.91 139.13 57.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.547 -0.721 . . . . 0.0 109.512 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.3 ttpt -52.44 -46.63 94.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.321 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 37.3 Cg_exo -59.75 -36.85 90.31 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.175 1.917 . . . . 0.0 113.094 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.44 0.8 27.89 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.029 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -58.06 -39.89 79.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.964 -1.085 . . . . 0.0 109.184 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.96 73.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.925 -1.109 . . . . 0.0 109.581 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.92 -31.04 58.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.275 -0.891 . . . . 0.0 109.89 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.37 71.29 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.431 -0.793 . . . . 0.0 110.761 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.41 -9.33 58.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 110.95 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 11.0 m -69.73 -31.43 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.801 -1.187 . . . . 0.0 109.923 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -84.21 159.16 21.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.436 -0.79 . . . . 0.0 109.608 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -169.67 171.34 43.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.455 ' HG2' HH11 ' A' ' 168' ' ' ARG . 5.2 mmt-85 -83.7 -11.22 57.48 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.887 -1.361 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.69 99.18 0.13 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.64 52.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.273 . . . . 0.0 109.099 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 29.0 t -154.13 81.56 1.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.799 . . . . 0.0 109.149 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -66.13 -50.9 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.443 -0.786 . . . . 0.0 109.941 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -154.1 -54.93 0.1 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.056 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.428 0.632 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.3 mm -60.14 140.04 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.421 -0.8 . . . . 0.0 110.456 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.36 148.2 47.25 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -60.02 147.01 81.21 Favored Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 117.158 -1.817 . . . . 0.0 107.589 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.21 146.83 95.51 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.136 1.224 . . . . 0.0 113.98 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -66.54 149.02 51.07 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -142.19 35.59 1.53 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.997 -1.064 . . . . 0.0 110.229 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -158.78 -36.13 0.06 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.914 -1.117 . . . . 0.0 111.46 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.68 87.28 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.938 -1.101 . . . . 0.0 111.789 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -71.82 147.66 46.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.617 -0.677 . . . . 0.0 111.2 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -105.12 2.46 29.35 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -108.17 166.27 10.87 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.513 -0.742 . . . . 0.0 109.362 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -69.69 67.33 0.24 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.973 -1.079 . . . . 0.0 110.687 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -65.45 -34.11 77.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 0.0 109.437 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.96 -37.67 74.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.65 84.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.987 -1.071 . . . . 0.0 109.428 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.82 -49.94 75.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.323 -0.86 . . . . 0.0 108.915 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -68.18 -27.29 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 0.0 109.43 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -58.4 -40.0 81.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 118.627 -1.229 . . . . 0.0 107.796 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HZ1' HG13 ' A' ' 165' ' ' VAL . 44.8 tttm -63.14 -41.39 99.28 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.05 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -60.25 -46.21 90.59 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.92 . . . . 0.0 109.096 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.537 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -87.53 -5.51 58.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.733 . . . . 0.0 109.935 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.23 148.27 51.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 109.872 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 166.92 22.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.551 -0.718 . . . . 0.0 109.442 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -59.95 -39.38 85.4 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.467 -0.771 . . . . 0.0 111.709 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.158 -0.964 . . . . 0.0 110.778 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.561 ' N ' ' OE1' ' A' ' 103' ' ' GLN . 23.0 mp0 -67.17 -40.24 86.58 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.841 -1.162 . . . . 0.0 110.005 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -66.4 -40.21 89.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 0.0 109.46 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.21 -40.66 82.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.098 -1.001 . . . . 0.0 109.23 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 tp -66.99 -50.41 62.33 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.05 -1.031 . . . . 0.0 109.602 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.82 92.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.057 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.62 -40.52 97.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.548 -0.72 . . . . 0.0 110.468 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.0 -38.97 83.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.43 -0.794 . . . . 0.0 110.251 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -81.17 -9.2 59.83 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.284 -0.885 . . . . 0.0 111.743 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.455 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 15.4 tp -75.81 -46.53 4.0 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 120.359 -1.463 . . . . 0.0 111.879 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 51.1 Cg_endo -66.19 -24.29 51.6 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 CA-C-N 120.805 1.323 . . . . 0.0 111.648 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.1 59.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.03 -1.044 . . . . 0.0 110.018 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.1 -40.16 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.856 -1.153 . . . . 0.0 109.486 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.22 -40.57 86.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.577 -0.702 . . . . 0.0 110.479 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 120' ' ' MET . . . -61.79 -40.04 93.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.315 -0.865 . . . . 0.0 109.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.01 92.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.27 -40.26 85.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.02 -1.05 . . . . 0.0 110.128 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.481 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.8 mt-10 -61.61 -49.82 75.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.809 -1.182 . . . . 0.0 110.251 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -71.62 -40.38 69.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.791 -1.193 . . . . 0.0 111.84 -179.25 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.47 -39.79 95.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.778 -1.201 . . . . 0.0 111.821 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 49.5 p30 -69.93 -17.25 63.32 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.667 -1.271 . . . . 0.0 109.318 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.509 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 42.7 tp60 -80.92 -2.49 47.82 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.561 -0.712 . . . . 0.0 109.621 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.2 79.63 Favored Glycine 0 N--CA 1.493 2.471 0 O-C-N 120.737 -1.227 . . . . 0.0 110.857 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.62 151.38 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.954 -1.321 . . . . 0.0 108.512 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -49.77 134.79 20.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 109.404 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -59.29 -42.98 92.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -0.874 . . . . 0.0 109.945 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -59.97 -43.23 95.2 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.42 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m -69.41 -42.1 75.52 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.812 -1.18 . . . . 0.0 109.014 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.07 69.51 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.507 -0.745 . . . . 0.0 109.231 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.403 -0.81 . . . . 0.0 109.04 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.4 m -62.51 -41.47 98.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.92 -1.113 . . . . 0.0 109.198 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.16 -47.94 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.192 -0.942 . . . . 0.0 109.316 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -62.62 -36.43 82.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.583 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.8 -49.18 37.36 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -69.51 -40.72 76.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.891 -1.358 . . . . 0.0 109.734 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.503 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.2 m-85 -106.65 135.64 47.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.439 -0.788 . . . . 0.0 109.535 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.33 63.12 4.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.907 -1.121 . . . . 0.0 109.609 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.67 153.87 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.1 m -73.89 127.99 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.315 -0.865 . . . . 0.0 110.63 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.04 88.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.559 -0.713 . . . . 0.0 110.486 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.554 ' HG ' ' N ' ' A' ' 144' ' ' THR . 95.2 p -63.95 -40.84 97.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.95 -1.094 . . . . 0.0 110.402 -178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.554 ' N ' ' HG ' ' A' ' 143' ' ' SER . 55.4 m -67.69 -43.98 78.83 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.14 -0.975 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.06 -39.77 87.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.252 -0.905 . . . . 0.0 109.931 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -58.58 -48.61 80.38 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.151 -0.968 . . . . 0.0 109.626 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.32 -42.48 95.67 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.863 -1.148 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.34 -34.72 75.05 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.81 -1.181 . . . . 0.0 111.067 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -60.08 -48.88 79.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.293 -0.88 . . . . 0.0 110.368 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.48 -38.15 77.57 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.127 -0.983 . . . . 0.0 109.115 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -60.33 -39.83 88.48 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.21 -0.931 . . . . 0.0 111.665 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.2 -12.33 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 120.296 -1.502 . . . . 0.0 111.649 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.37 -32.01 69.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.113 -0.992 . . . . 0.0 109.567 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -79.24 -10.32 59.79 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.019 -1.051 . . . . 0.0 109.761 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -107.33 150.61 26.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.95 -1.094 . . . . 0.0 110.018 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 139.35 57.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.636 -0.665 . . . . 0.0 110.04 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 15.4 mtmm -52.59 -50.96 77.61 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.221 -0.924 . . . . 0.0 111.87 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -59.44 -22.97 68.51 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.407 1.404 . . . . 0.0 112.684 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -87.82 -1.2 57.82 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.759 -1.213 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.01 -40.28 88.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.232 -0.917 . . . . 0.0 109.84 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.49 93.13 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.984 -1.072 . . . . 0.0 110.634 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -31.58 59.43 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 109.554 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.71 85.39 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.092 -1.005 . . . . 0.0 109.649 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.68 -9.03 58.18 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.022 -1.049 . . . . 0.0 110.687 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.437 HG13 ' HZ1' ' A' ' 95' ' ' LYS . 69.6 t -70.33 -45.96 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.808 -1.182 . . . . 0.0 109.261 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -90.79 114.7 27.14 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.395 -0.816 . . . . 0.0 109.158 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -77.49 123.95 6.67 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.1 -8.8 57.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.835 -1.391 . . . . 0.0 109.461 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.8 60.55 Favored Glycine 0 N--CA 1.484 1.854 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -76.9 138.23 39.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.414 -1.051 . . . . 0.0 110.147 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.5 p -83.82 156.25 22.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -103.74 128.41 51.12 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.181 -0.95 . . . . 0.0 108.592 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -136.48 27.3 3.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.289 -0.882 . . . . 0.0 109.631 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.9 m120 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.267 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.6 mtm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.37 139.21 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.576 -1.327 . . . . 0.0 109.582 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.12 -90.06 0.07 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.542 -0.724 . . . . 0.0 109.813 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -168.93 70.67 0.73 Allowed Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.859 -1.151 . . . . 0.0 110.454 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.95 149.63 82.9 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.77 1.646 . . . . 0.0 112.362 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.7 m -69.53 149.7 47.94 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.594 -0.691 . . . . 0.0 109.255 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' C ' ' NE2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -142.7 112.91 7.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.29 -0.881 . . . . 0.0 109.493 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.593 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 17.3 pt-20 -144.5 -30.36 0.46 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' C ' ' CG ' ' A' ' 85' ' ' HIS . . . -98.91 101.62 13.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.994 -1.066 . . . . 0.0 110.643 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' NE2' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -176.45 126.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.22 -18.02 61.87 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 14.7 p90 -103.66 139.95 38.24 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -77.34 113.81 15.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.133 -0.979 . . . . 0.0 110.834 -178.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.36 -31.1 69.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.722 -0.611 . . . . 0.0 110.451 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 94' ' ' SER . 71.3 mm-40 -59.9 -40.01 87.3 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.596 -1.315 . . . . 0.0 109.595 -178.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.77 95.92 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.791 -1.164 . . . . 0.0 108.409 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.3 -50.94 69.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.135 -0.978 . . . . 0.0 108.864 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.42 -28.68 65.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 110.499 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 90' ' ' GLU . 58.5 m -59.56 -40.04 86.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.705 -1.247 . . . . 0.0 107.839 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -60.63 -43.82 97.07 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.4 t-105 -62.01 -50.81 70.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.559 -0.713 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 56.5 t0 -56.64 -38.15 71.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.461 -0.775 . . . . 0.0 109.782 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -83.15 -4.26 58.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.201 -0.937 . . . . 0.0 109.409 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.54 156.42 38.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.309 -0.87 . . . . 0.0 109.734 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 t -75.1 162.8 28.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 109.742 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.6 -40.0 90.18 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -60.39 -37.68 81.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.302 -0.874 . . . . 0.0 110.084 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.15 -39.97 88.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.109 -0.994 . . . . 0.0 109.407 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -65.97 -41.8 90.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.965 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -61.83 -43.88 97.95 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 109.973 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.73 -50.12 75.07 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.02 97.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -40.1 87.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.439 0.637 . . . . 0.0 109.692 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.72 -40.43 95.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.341 -0.849 . . . . 0.0 110.636 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -82.72 -7.51 59.65 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.875 -1.141 . . . . 0.0 112.026 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 20.9 tp -73.19 -45.69 8.04 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.452 -1.405 . . . . 0.0 112.583 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -68.88 -24.7 33.61 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.299 1.333 . . . . 0.0 112.291 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.71 -44.39 33.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 108.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.33 -42.61 84.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.281 -0.887 . . . . 0.0 108.733 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.91 -40.52 83.4 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.64 95.33 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 47.6 t0 -59.85 -41.31 91.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.6 -40.11 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 109.258 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mmm -69.1 -40.34 78.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.47 -0.769 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.13 -40.15 90.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.164 -0.96 . . . . 0.0 109.137 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -61.04 -38.57 86.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.269 -0.895 . . . . 0.0 109.695 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.82 -3.52 16.02 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.342 -0.848 . . . . 0.0 108.822 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 69.63 31.96 70.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.0 mt -79.27 148.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.196 -1.179 . . . . 0.0 109.045 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -52.92 139.69 26.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.61 -1.306 . . . . 0.0 109.893 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 p -57.87 -43.5 86.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.666 -0.646 . . . . 0.0 110.006 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.0 -43.69 95.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.125 -0.984 . . . . 0.0 109.59 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.8 m -69.73 -41.53 75.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.383 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.18 70.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.857 -0.527 . . . . 0.0 110.163 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -69.7 -38.52 77.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.023 -1.048 . . . . 0.0 109.705 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.39 98.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.923 -1.11 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.9 m -63.64 -44.44 93.84 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.69 -1.256 . . . . 0.0 108.903 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.67 -46.46 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.431 -0.793 . . . . 0.0 109.216 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.21 -35.78 76.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.426 -0.796 . . . . 0.0 109.776 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.56 -50.04 27.76 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -69.57 -42.12 74.93 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.188 -1.184 . . . . 0.0 109.598 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.0 m-85 -103.23 138.21 40.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.84 . . . . 0.0 110.755 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -84.51 61.18 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.975 -1.078 . . . . 0.0 109.299 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.9 158.7 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.723 . . . . 0.0 109.99 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.0 m -75.26 131.87 40.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.702 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.56 90.02 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.08 -1.013 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.2 p -63.71 -40.02 95.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 110.409 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.5 m -65.02 -47.03 78.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.992 . . . . 0.0 110.282 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.2 tp -58.59 -39.81 81.42 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.734 -0.603 . . . . 0.0 109.616 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -59.12 -47.97 83.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 109.947 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -60.41 -41.54 94.11 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.969 -1.082 . . . . 0.0 110.037 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.97 -34.23 74.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.1 -46.8 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.81 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -66.7 -30.93 71.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.053 -1.03 . . . . 0.0 109.287 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.92 -40.19 88.04 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.077 -1.014 . . . . 0.0 111.393 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.17 -12.72 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 111.369 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.72 -38.1 80.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.7 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -74.33 -8.85 57.65 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.505 -0.747 . . . . 0.0 109.695 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.68 141.61 45.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.527 -0.733 . . . . 0.0 109.665 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.469 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.64 146.04 50.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.612 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 6.7 mtmt -50.47 -50.02 74.19 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 120.707 -1.245 . . . . 0.0 110.97 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 71.8 Cg_exo -49.68 -41.77 44.85 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.248 1.965 . . . . 0.0 113.877 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 p-10 -89.1 5.54 44.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.646 -1.284 . . . . 0.0 111.021 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.44 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -56.36 -40.08 73.93 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.812 -1.18 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.19 80.45 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.85 -1.156 . . . . 0.0 109.979 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -79.13 -22.84 44.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.998 -1.064 . . . . 0.0 110.2 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.53 79.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.03 -1.044 . . . . 0.0 111.239 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.13 1.98 8.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.376 -0.827 . . . . 0.0 111.206 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 32.0 m -66.17 -40.08 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.517 -1.364 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 166' ' ' ASP . 35.7 p-10 -87.59 110.03 20.08 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -0.92 . . . . 0.0 109.608 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -97.55 132.26 10.91 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.45 HH11 ' HG2' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -85.79 120.45 27.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.103 -1.234 . . . . 0.0 108.782 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -173.05 92.95 0.09 OUTLIER Glycine 0 N--CA 1.489 2.184 0 C-N-CA 119.37 -1.395 . . . . 0.0 109.994 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.31 113.88 16.7 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.101 -1.235 . . . . 0.0 109.563 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 64.9 m -140.47 154.6 46.67 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.33 -0.856 . . . . 0.0 111.135 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -135.74 149.73 49.28 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.418 -0.801 . . . . 0.0 109.273 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -148.81 -164.49 2.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.797 179.499 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 76' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.53 140.39 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.33 -17.52 0.2 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.927 -1.108 . . . . 0.0 109.017 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -169.54 70.68 0.67 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.699 -0.626 . . . . 0.0 110.23 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -70.11 149.99 65.45 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 121.94 1.76 . . . . 0.0 110.722 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -61.05 140.06 57.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 108.815 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' C ' ' NE2' ' A' ' 85' ' ' HIS . 74.2 mt -137.27 56.63 1.77 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.117 -0.989 . . . . 0.0 110.535 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -135.61 -1.56 2.51 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.152 -0.967 . . . . 0.0 109.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.47 -26.78 14.72 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.99 -1.069 . . . . 0.0 110.9 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -64.44 121.3 14.04 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.106 -0.996 . . . . 0.0 110.185 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.37 -18.71 58.74 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 122.017 0.913 . . . . 0.0 108.661 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 88' ' ' ASP . 52.7 p90 -92.43 168.96 10.93 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.1 p-10 -59.54 -153.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.26 -0.9 . . . . 0.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -135.56 -34.18 0.85 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.083 -1.011 . . . . 0.0 110.479 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 94' ' ' SER . 18.3 pt-20 -61.28 -39.08 89.1 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.211 -0.931 . . . . 0.0 111.08 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.37 73.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.135 -1.603 . . . . 0.0 111.906 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.9 tp -78.48 -54.14 6.48 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.626 -1.296 . . . . 0.0 111.08 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -67.99 -28.92 67.85 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.87 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 48.1 t -60.47 -40.23 90.51 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.137 -1.602 . . . . 0.0 108.475 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.47 -43.18 97.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.89 -40.15 87.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.515 -0.741 . . . . 0.0 110.07 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -87.72 -1.04 57.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.093 -1.004 . . . . 0.0 109.66 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.6 46.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.166 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -70.25 159.14 34.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.751 . . . . 0.0 109.949 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 102' ' ' SER . 35.1 p-10 -59.89 -39.12 84.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.733 -0.604 . . . . 0.0 109.923 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 55.4 m -60.13 -40.21 88.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.65 -1.281 . . . . 0.0 110.059 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -65.09 -40.8 95.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 109.814 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 85.1 mtm180 -69.65 -40.26 76.59 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.328 -0.857 . . . . 0.0 109.762 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.443 ' HG2' HH11 ' A' ' 105' ' ' ARG . 15.2 ttt-85 -62.5 -41.46 98.85 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.343 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.56 -46.85 88.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.384 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.666 -1.271 . . . . 0.0 108.57 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.9 -38.04 81.12 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.18 -38.39 85.31 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.222 -0.924 . . . . 0.0 110.512 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -87.07 -8.15 57.36 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 18.6 tp -74.87 -36.97 2.51 Favored Pre-proline 0 N--CA 1.509 2.479 0 O-C-N 119.474 -2.016 . . . . 0.0 111.84 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 20.2 Cg_exo -64.95 -33.3 52.31 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.677 2.252 . . . . 0.0 111.592 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.02 52.49 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.288 -0.882 . . . . 0.0 110.256 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 t -70.15 -41.03 78.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.719 -1.238 . . . . 0.0 109.12 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.56 -41.92 92.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.267 -0.895 . . . . 0.0 109.843 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.5 92.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.538 -0.726 . . . . 0.0 109.775 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.24 91.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.473 -0.767 . . . . 0.0 110.439 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 122' ' ' ASN . 39.2 t0 -59.77 -40.2 87.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.768 -1.207 . . . . 0.0 108.895 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.63 -40.37 95.33 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.196 -0.94 . . . . 0.0 110.582 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.9 mmt -72.68 -40.12 66.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.117 -0.99 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.21 -40.04 96.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.319 -0.863 . . . . 0.0 110.085 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.408 ' OD1' ' OD1' ' A' ' 118' ' ' ASP . 17.3 m120 -65.19 -26.26 68.07 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.07 -1.019 . . . . 0.0 109.544 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -77.82 -0.3 26.69 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.5 28.3 65.88 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.51 141.66 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.81 -1.406 . . . . 0.0 108.922 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 p -53.01 138.91 29.38 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.92 0.867 . . . . 0.0 109.505 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.3 p -59.62 -41.31 90.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.248 -0.907 . . . . 0.0 110.616 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.11 -46.19 88.97 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.112 -0.992 . . . . 0.0 109.467 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.3 m -69.15 -40.99 77.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.48 69.35 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.297 -0.877 . . . . 0.0 110.518 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.84 -39.5 79.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.685 -1.259 . . . . 0.0 108.773 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.6 73.08 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.862 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -40.05 88.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.81 -1.181 . . . . 0.0 109.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.34 -42.5 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.2 -31.92 73.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.11 -0.994 . . . . 0.0 109.35 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.07 13.51 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -66.16 -42.22 89.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.4 m-85 -104.7 127.16 52.39 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.569 0.7 . . . . 0.0 109.815 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 70.75 7.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.808 -1.183 . . . . 0.0 109.475 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.51 158.16 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.5 m -68.74 127.3 32.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.247 -0.908 . . . . 0.0 108.754 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.06 87.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.527 -0.733 . . . . 0.0 109.322 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.437 ' HG ' ' N ' ' A' ' 144' ' ' THR . 89.5 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.968 -0.457 . . . . 0.0 110.84 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.437 ' N ' ' HG ' ' A' ' 143' ' ' SER . 79.3 m -64.07 -49.79 70.9 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.204 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.84 -40.43 88.47 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.354 -0.841 . . . . 0.0 109.709 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -60.27 -49.98 75.46 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.18 -40.77 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.728 -1.232 . . . . 0.0 109.552 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.45 -37.96 88.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.369 -0.832 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.74 -47.62 84.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.017 -1.052 . . . . 0.0 110.693 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -66.55 -38.98 88.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.17 -0.956 . . . . 0.0 110.03 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.59 -40.99 93.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.906 -1.121 . . . . 0.0 111.434 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.35 -13.1 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.269 -0.894 . . . . 0.0 111.015 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -58.53 -38.72 78.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.829 -1.169 . . . . 0.0 108.479 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -74.91 -6.4 49.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.625 -0.672 . . . . 0.0 109.746 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -109.09 149.27 29.55 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.62 139.4 57.23 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 88.0 mttt -57.24 -40.2 82.98 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.064 -1.022 . . . . 0.0 111.674 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.0 Cg_exo -62.61 -28.47 77.07 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 121.722 1.615 . . . . 0.0 112.177 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.403 ' OD2' ' OH ' ' A' ' 87' ' ' TYR . 87.1 m-20 -87.27 -2.28 58.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.297 -0.877 . . . . 0.0 109.3 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -60.13 -39.85 87.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.995 . . . . 0.0 109.762 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.04 90.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.919 -1.113 . . . . 0.0 109.016 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.69 -24.05 39.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.935 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.38 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.924 -1.11 . . . . 0.0 110.715 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.01 -19.1 61.91 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.14 -0.975 . . . . 0.0 111.632 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.23 -33.37 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.553 -1.342 . . . . 0.0 109.476 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -91.29 120.74 32.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 109.024 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.44 57.61 2.45 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 168' ' ' ARG . 36.2 ttt-85 -79.84 -12.33 59.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -1.168 . . . . 0.0 108.453 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -144.19 3.33 1.44 Allowed Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.86 156.89 28.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.133 -1.216 . . . . 0.0 110.023 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 66.1 p -77.83 163.28 26.21 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.009 -1.057 . . . . 0.0 108.845 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.417 ' CG ' ' OXT' ' A' ' 174' ' ' ASN . 23.6 ttt-85 -90.45 116.97 28.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.466 -0.771 . . . . 0.0 109.699 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -97.22 -16.09 20.55 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.444 ' O ' ' OD1' ' A' ' 174' ' ' ASN . 48.3 t-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.472 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.405 ' H2 ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 mmt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.36 -25.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.013 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.29 -36.12 72.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.609 -1.307 . . . . 0.0 110.635 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' HE ' ' H2 ' ' A' ' 76' ' ' MET . 2.4 ptt180 -69.95 149.65 96.39 Favored Pre-proline 0 N--CA 1.503 2.194 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -69.89 149.94 66.73 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 CA-C-N 119.941 1.014 . . . . 0.0 111.801 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -103.2 146.65 28.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.222 -0.924 . . . . 0.0 109.769 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -162.05 66.75 0.25 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.7 -1.25 . . . . 0.0 109.72 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -168.45 -38.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.374 -1.454 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.58 -12.12 59.86 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 110.065 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.719 ' CD2' HH12 ' A' ' 89' ' ' ARG . 0.0 OUTLIER -103.7 118.91 37.81 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.434 -0.791 . . . . 0.0 109.426 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.65 -18.74 65.55 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.0 p90 -107.41 82.75 1.71 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.675 -0.641 . . . . 0.0 109.295 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.0 138.85 58.43 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.308 -0.87 . . . . 0.0 109.123 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.719 HH12 ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -157.63 114.93 3.01 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 122.584 1.183 . . . . 0.0 111.778 179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.3 pt-20 -81.48 -26.45 35.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.175 -0.953 . . . . 0.0 109.475 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.07 79.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.313 -0.867 . . . . 0.0 109.77 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.28 -50.51 71.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.929 -1.107 . . . . 0.0 108.671 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -67.22 -31.33 71.63 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' GLU . 36.8 t -60.34 -41.07 92.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.444 -1.41 . . . . 0.0 108.34 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -60.35 -40.3 90.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.191 -0.943 . . . . 0.0 108.988 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.401 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 12.1 t-105 -61.36 -54.18 47.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.88 87.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.392 -0.817 . . . . 0.0 108.937 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.72 -1.29 50.95 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.408 -0.807 . . . . 0.0 109.499 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.87 42.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.089 -1.007 . . . . 0.0 109.73 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.6 m -74.2 164.85 26.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.168 -0.958 . . . . 0.0 110.024 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.08 -40.67 90.34 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.357 -0.839 . . . . 0.0 110.208 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.3 m -60.17 -39.99 88.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 109.208 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.17 -39.92 94.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.259 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.485 ' CG ' ' NH1' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -63.79 -43.83 95.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.571 -0.706 . . . . 0.0 109.143 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -64.91 -40.23 94.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.08 -50.69 72.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.976 -1.078 . . . . 0.0 109.208 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.941 -1.1 . . . . 0.0 108.701 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.27 -38.39 89.11 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.375 -0.828 . . . . 0.0 109.125 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.9 -39.84 94.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 111.826 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -88.91 -4.39 58.47 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.134 -0.979 . . . . 0.0 113.388 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 17.4 tp -77.92 -36.08 1.32 Allowed Pre-proline 0 N--CA 1.509 2.506 0 O-C-N 119.642 -1.911 . . . . 0.0 112.351 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 22.8 Cg_exo -64.08 -35.81 51.57 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.67 2.247 . . . . 0.0 112.107 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.76 -41.54 44.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.681 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.9 -45.68 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.725 -1.235 . . . . 0.0 109.114 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -62.21 -45.24 94.23 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 109.39 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.35 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.498 -0.751 . . . . 0.0 108.981 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.41 84.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.561 -0.712 . . . . 0.0 109.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 30.9 t0 -57.9 -46.72 84.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.609 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 48.9 mt-10 -63.0 -40.02 96.52 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.037 -1.039 . . . . 0.0 109.902 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.6 mtp -70.08 -40.14 75.18 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.44 -40.04 94.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 46.6 p30 -65.44 -15.96 63.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.597 -1.315 . . . . 0.0 110.5 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.423 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 56.9 tt0 -80.07 -4.23 51.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.014 -1.054 . . . . 0.0 109.363 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.09 25.21 64.59 Favored Glycine 0 N--CA 1.496 2.662 0 O-C-N 120.943 -1.098 . . . . 0.0 110.944 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.31 146.27 8.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.78 -1.424 . . . . 0.0 108.977 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -54.48 140.12 35.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.77 -1.206 . . . . 0.0 109.906 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -59.0 -42.43 90.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.493 -0.754 . . . . 0.0 109.911 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.189 -0.944 . . . . 0.0 110.027 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.9 m -67.47 -44.05 79.53 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.069 -1.02 . . . . 0.0 109.168 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.0 75.34 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.064 -1.022 . . . . 0.0 110.655 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.9 -39.44 83.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.45 -1.406 . . . . 0.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.42 86.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.093 -1.005 . . . . 0.0 109.285 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 99.1 m -61.34 -47.02 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.955 . . . . 0.0 110.187 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.88 -47.22 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.112 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.25 -28.15 69.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.839 -1.163 . . . . 0.0 109.018 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.9 -49.61 22.08 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 119.055 -1.545 . . . . 0.0 109.454 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -71.95 -39.98 68.99 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.981 -1.305 . . . . 0.0 109.026 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.7 m-85 -99.1 135.57 40.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -82.8 67.03 8.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.457 -0.777 . . . . 0.0 109.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.65 158.05 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.752 . . . . 0.0 109.089 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 t -72.45 130.33 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.489 -0.757 . . . . 0.0 109.75 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.27 87.84 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.431 -0.793 . . . . 0.0 109.726 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 70.4 p -65.32 -39.92 93.05 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.2 -0.938 . . . . 0.0 110.336 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 61.9 m -63.21 -50.08 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.827 -1.171 . . . . 0.0 108.825 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.94 -40.49 89.14 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.452 -0.78 . . . . 0.0 109.348 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -60.36 -49.68 76.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 110.023 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -40.47 90.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.907 -1.121 . . . . 0.0 110.363 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -68.35 -37.2 80.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.272 -0.893 . . . . 0.0 111.487 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.72 -48.76 80.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.71 -1.244 . . . . 0.0 109.914 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -69.87 -33.39 72.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.251 -0.906 . . . . 0.0 109.775 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -60.07 -41.97 93.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.771 -1.206 . . . . 0.0 111.06 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.21 -10.03 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.768 -1.208 . . . . 0.0 111.511 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.62 -40.12 74.81 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -76.43 -7.02 54.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.085 -1.009 . . . . 0.0 109.583 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -106.9 148.73 28.24 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.401 -0.812 . . . . 0.0 110.023 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.536 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -70.92 150.21 45.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.404 -0.81 . . . . 0.0 110.226 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 43.2 mttm -52.04 -53.29 53.5 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.589 -0.694 . . . . 0.0 110.806 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 18.1 Cg_endo -58.64 -28.38 86.02 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.091 1.194 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 48.3 t0 -82.43 -19.06 39.74 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.763 -0.586 . . . . 0.0 109.826 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.536 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 44.7 m0 -54.14 -38.4 65.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.734 -1.229 . . . . 0.0 109.785 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.68 82.1 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.791 -1.193 . . . . 0.0 108.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.68 -38.39 47.59 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.445 -0.785 . . . . 0.0 109.566 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.27 81.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.039 -1.038 . . . . 0.0 111.056 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.64 -15.93 63.68 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.985 . . . . 0.0 111.27 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.0 m -69.65 -20.02 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.746 -1.221 . . . . 0.0 109.393 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -84.39 151.64 24.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.313 -0.867 . . . . 0.0 109.191 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.13 -152.76 20.9 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -71.36 -38.04 71.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.154 -1.204 . . . . 0.0 110.088 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -155.76 130.37 2.75 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 108.836 -1.706 . . . . 0.0 108.836 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.99 111.39 15.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.053 -1.263 . . . . 0.0 109.589 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 82.8 p -68.37 -36.06 78.64 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.526 -0.734 . . . . 0.0 109.801 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.62 163.32 26.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 109.74 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -85.57 135.68 33.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.227 -0.92 . . . . 0.0 109.105 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.649 -1.167 . . . . 0.0 109.183 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.133 0.492 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 pt -60.04 140.08 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.87 -1.144 . . . . 0.0 109.449 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.12 -83.54 0.21 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.013 -1.054 . . . . 0.0 108.784 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 44.9 mtt180 -139.96 42.09 0.5 Allowed Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.256 -0.902 . . . . 0.0 109.301 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 26.5 Cg_endo -68.91 149.92 72.73 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.743 1.629 . . . . 0.0 111.163 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.93 141.82 54.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.623 -0.673 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -87.29 109.52 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.171 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.525 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 84.6 tt0 -151.62 147.25 26.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.947 -1.096 . . . . 0.0 108.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.19 108.2 1.5 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.986 -1.071 . . . . 0.0 109.216 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -80.57 -64.5 1.17 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -128.76 -7.76 5.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' OH ' ' NE1' ' A' ' 93' ' ' TRP . 19.5 p90 -143.69 133.72 24.18 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -96.79 97.55 9.41 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.64 -1.287 . . . . 0.0 109.043 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.54 68.53 1.41 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.354 -0.841 . . . . 0.0 109.696 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -61.28 -39.61 91.06 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.899 -1.126 . . . . 0.0 109.007 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 90' ' ' GLU . . . -59.89 -40.53 89.06 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.468 -0.77 . . . . 0.0 110.752 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.02 -51.28 69.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.94 -1.1 . . . . 0.0 109.58 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.434 ' NE1' ' OH ' ' A' ' 87' ' ' TYR . 82.6 m95 -69.82 -33.82 72.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.717 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.5 m -60.05 -40.29 88.9 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.119 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.44 -39.52 87.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.238 -0.914 . . . . 0.0 109.546 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -59.25 -44.24 92.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 108.965 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.47 -39.65 76.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.398 -0.814 . . . . 0.0 109.634 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -88.88 -2.98 58.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.127 -0.983 . . . . 0.0 110.016 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.85 160.81 27.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.089 -1.007 . . . . 0.0 108.995 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -70.0 151.93 45.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.149 -0.969 . . . . 0.0 109.278 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 7.9 t70 -60.05 -41.76 93.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 110.048 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -60.01 -39.98 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.012 -1.055 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.28 -39.96 88.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.058 -1.027 . . . . 0.0 110.211 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.5 mtm180 -68.2 -40.08 82.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.176 . . . . 0.0 109.438 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -66.53 -39.88 88.85 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.094 -1.004 . . . . 0.0 109.192 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.13 -46.49 88.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.934 -1.104 . . . . 0.0 108.06 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.15 93.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.989 -1.069 . . . . 0.0 109.147 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.38 -40.07 92.97 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.82 -40.99 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.488 -0.757 . . . . 0.0 110.898 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.25 -5.37 58.48 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.894 -1.129 . . . . 0.0 110.345 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 7.3 tp -73.38 -47.12 7.65 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 120.679 -1.263 . . . . 0.0 112.455 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 42.3 Cg_endo -64.03 -20.47 67.73 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 120.856 1.341 . . . . 0.0 111.598 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.19 18.1 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.028 -1.045 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 45.6 t -69.19 -42.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.142 -0.974 . . . . 0.0 110.676 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.79 -38.46 89.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.904 -1.122 . . . . 0.0 110.626 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.42 94.68 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.906 -1.121 . . . . 0.0 109.687 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.08 88.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 110.045 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.93 -40.56 89.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.914 -1.116 . . . . 0.0 109.257 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 76.5 tt0 -60.61 -43.37 97.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 108.72 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.4 mmm -70.66 -40.49 72.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.61 -0.681 . . . . 0.0 110.807 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.0 mt -68.19 -38.45 82.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.987 -1.071 . . . . 0.0 110.882 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 122' ' ' ASN . 42.6 p30 -68.97 -13.5 62.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.81 -1.181 . . . . 0.0 109.821 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.415 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 53.0 tt0 -93.33 7.37 44.7 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.83 28.39 60.97 Favored Glycine 0 N--CA 1.491 2.307 0 O-C-N 121.391 -0.818 . . . . 0.0 111.968 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.9 mm -80.48 140.07 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.92 -1.341 . . . . 0.0 108.48 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -55.62 138.53 46.86 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 108.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -56.17 -42.93 77.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -0.867 . . . . 0.0 109.738 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.07 -1.019 . . . . 0.0 108.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.7 m -66.14 -41.1 90.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.275 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.23 60.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.301 -0.874 . . . . 0.0 110.223 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -68.66 -39.48 80.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 109.419 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.31 93.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.832 -1.168 . . . . 0.0 109.021 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 96.2 m -61.62 -44.83 96.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.551 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.57 -45.47 78.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.654 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.67 -29.38 70.38 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.32 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.73 -48.6 21.45 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -70.08 -40.57 74.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -1.175 . . . . 0.0 109.296 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.492 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.8 m-85 -99.32 139.4 35.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.189 -0.945 . . . . 0.0 108.946 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -83.58 62.81 7.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.705 -1.247 . . . . 0.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.97 147.06 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.3 p -70.15 137.65 51.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.471 -0.768 . . . . 0.0 109.977 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.11 92.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.987 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.1 p -61.45 -40.11 93.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.163 -0.961 . . . . 0.0 110.093 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -66.61 -51.4 56.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.352 -0.843 . . . . 0.0 109.866 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.59 -42.19 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.692 0.758 . . . . 0.0 109.197 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -60.08 -49.81 76.19 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.536 -0.728 . . . . 0.0 110.239 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -62.17 -41.47 98.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.124 -0.985 . . . . 0.0 110.676 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -68.47 -38.38 81.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.555 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -59.16 -44.08 92.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.335 -0.853 . . . . 0.0 110.397 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.71 -39.34 76.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.407 -1.433 . . . . 0.0 109.22 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.05 -40.75 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.533 -0.729 . . . . 0.0 111.565 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.62 -13.34 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.622 -1.299 . . . . 0.0 110.556 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -58.73 -39.02 79.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.107 -0.996 . . . . 0.0 108.841 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.15 -9.53 58.7 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.27 -0.894 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.86 149.44 26.53 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.303 -0.873 . . . . 0.0 110.051 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.42 149.39 50.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.574 . . . . 0.0 109.64 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 28.5 mmtm -49.61 -50.02 69.0 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.288 -0.883 . . . . 0.0 111.269 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 42.2 Cg_endo -63.84 -24.08 68.34 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 CA-C-N 120.967 1.381 . . . . 0.0 112.044 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -81.59 -8.21 59.69 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -59.88 -40.1 87.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.951 -1.093 . . . . 0.0 109.896 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.49 90.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.098 -1.001 . . . . 0.0 109.784 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.91 61.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.429 -0.794 . . . . 0.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.47 79.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.145 -0.972 . . . . 0.0 111.131 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.09 -4.45 35.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.964 -1.085 . . . . 0.0 111.04 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.01 -70.64 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.615 -1.303 . . . . 0.0 109.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -105.35 131.19 53.09 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.396 -0.815 . . . . 0.0 109.665 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.26 178.87 43.6 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.945 -1.662 . . . . 0.0 108.945 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -82.57 129.79 34.99 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.93 -1.335 . . . . 0.0 109.613 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -161.65 119.65 0.9 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.08 -70.38 0.52 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.985 -1.303 . . . . 0.0 109.389 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 61.5 m -146.01 -95.94 0.09 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -89.86 73.58 7.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.143 -0.973 . . . . 0.0 109.609 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -93.62 129.46 39.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.331 -0.855 . . . . 0.0 109.217 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.363 179.555 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.712 0.768 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.3 pt -61.06 144.12 14.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.061 -1.025 . . . . 0.0 110.339 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -136.12 111.48 9.13 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 ptm180 -59.94 -28.74 4.76 Favored Pre-proline 0 N--CA 1.501 2.109 0 C-N-CA 118.231 -1.387 . . . . 0.0 114.38 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 51.8 Cg_exo -59.06 -33.09 98.48 Favored 'Trans proline' 0 N--CA 1.507 2.309 0 CA-C-N 121.928 1.724 . . . . 0.0 111.108 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.7 m -69.9 141.1 53.19 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.046 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 4.8 mt -147.21 -53.31 0.22 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.607 -1.308 . . . . 0.0 109.065 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.05 111.86 23.51 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.821 -1.175 . . . . 0.0 109.468 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -175.89 16.76 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -158.26 -165.15 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.0 109.744 -178.773 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -108.47 38.36 2.26 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.237 -0.914 . . . . 0.0 110.671 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 2.2 p90 -170.65 142.92 2.09 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.878 -1.139 . . . . 0.0 108.572 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -137.12 91.53 2.63 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.843 -1.161 . . . . 0.0 109.215 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -97.53 102.38 14.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.275 -0.89 . . . . 0.0 109.398 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.17 -39.86 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 109.13 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.05 94.81 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.17 0.509 . . . . 0.0 110.492 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.29 -52.62 64.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.005 -1.059 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -69.33 -39.79 77.99 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 m -59.71 -40.32 87.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.834 -1.166 . . . . 0.0 110.124 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -60.48 -40.68 92.17 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.466 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -61.47 -47.39 85.9 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.802 -1.186 . . . . 0.0 108.211 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 50.4 t0 -57.08 -36.88 71.11 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.577 -0.702 . . . . 0.0 109.459 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.55 -7.14 59.65 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.183 -0.948 . . . . 0.0 109.662 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.05 151.56 44.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -71.66 154.4 41.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.45 -0.781 . . . . 0.0 110.439 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.22 -40.4 90.04 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 110.177 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -60.08 -40.42 89.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.138 -0.976 . . . . 0.0 109.985 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.2 -40.16 95.49 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.557 -1.339 . . . . 0.0 108.923 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.0 mtt180 -64.28 -40.01 95.11 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.606 -0.683 . . . . 0.0 109.763 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 105' ' ' ARG . 4.0 mmt-85 -60.25 -41.7 93.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.999 -1.063 . . . . 0.0 109.933 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.84 -46.9 88.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.273 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.64 94.73 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.26 -0.9 . . . . 0.0 109.923 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.04 -39.38 85.72 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.534 -0.729 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.71 -39.9 94.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.851 -1.156 . . . . 0.0 110.611 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.491 ' CE3' ' NZ ' ' A' ' 148' ' ' LYS . 75.4 m95 -81.9 -9.66 59.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.403 -0.811 . . . . 0.0 111.795 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.438 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 18.1 tp -74.59 -45.76 5.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.398 -1.439 . . . . 0.0 112.323 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 61.3 Cg_endo -67.78 -24.42 40.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.992 1.39 . . . . 0.0 112.146 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.73 59.36 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.71 -1.244 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.88 -40.65 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.995 -1.065 . . . . 0.0 108.966 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.9 mm-40 -66.25 -40.15 89.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.551 -0.718 . . . . 0.0 110.362 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.24 73.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.261 -0.899 . . . . 0.0 110.136 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.22 91.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 109.274 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -59.41 -41.44 89.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.323 -0.861 . . . . 0.0 109.121 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.13 -42.07 94.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 109.693 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.78 -39.12 84.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.269 -0.894 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.01 -29.87 69.82 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.471 -0.768 . . . . 0.0 109.251 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.62 -38.76 85.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.595 -0.69 . . . . 0.0 109.241 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -72.6 0.06 11.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.0 62.64 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.71 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 125' ' ' ILE . 96.6 mt -78.84 142.88 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.316 . . . . 0.0 108.643 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.574 ' HG ' ' HG1' ' A' ' 129' ' ' THR . 10.0 p -51.49 139.93 18.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.991 -1.068 . . . . 0.0 110.214 -178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 p -58.68 -42.65 88.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.834 -0.541 . . . . 0.0 110.574 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.06 -45.03 91.83 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.911 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.574 ' HG1' ' HG ' ' A' ' 126' ' ' SER . 94.7 m -68.3 -43.38 77.79 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 109.977 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.82 76.15 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.882 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.04 -39.47 75.72 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.635 -1.291 . . . . 0.0 109.808 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.47 81.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.048 -1.033 . . . . 0.0 109.779 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.9 m -63.65 -44.24 94.4 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.2 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.48 -45.4 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.391 -0.818 . . . . 0.0 109.485 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.05 -29.31 69.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.144 -0.973 . . . . 0.0 109.247 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.22 -50.25 17.75 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.86 -41.74 78.03 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.854 -1.38 . . . . 0.0 109.494 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -102.0 136.05 42.51 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.519 -0.738 . . . . 0.0 109.266 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -82.26 63.93 6.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.53 -0.731 . . . . 0.0 109.563 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.5 m -130.36 158.4 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.0 m -74.96 130.02 38.66 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.924 -1.11 . . . . 0.0 109.97 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.1 m -62.26 -39.93 94.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 109.948 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.2 m -64.72 -49.34 71.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.076 -1.015 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.51 -43.84 97.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.056 -1.027 . . . . 0.0 110.006 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -60.27 -46.09 91.04 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.23 -0.919 . . . . 0.0 110.566 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.25 -46.9 88.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 0.0 110.641 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 110' ' ' TRP . 45.2 mtmt -69.21 -30.45 68.63 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.827 -1.171 . . . . 0.0 110.74 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -59.94 -47.33 86.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.786 -1.196 . . . . 0.0 109.996 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.78 -35.22 76.78 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.774 -1.204 . . . . 0.0 109.673 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.08 -39.92 87.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 110.925 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -81.76 -9.93 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.57 -1.331 . . . . 0.0 110.351 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -60.0 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.861 -1.149 . . . . 0.0 110.709 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.14 -4.27 52.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.567 -1.333 . . . . 0.0 109.464 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -103.92 145.73 29.7 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.449 ' N ' ' OD2' ' A' ' 159' ' ' ASP . . . -60.37 140.12 57.32 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.132 -0.98 . . . . 0.0 109.54 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 9.8 mtpm? -52.03 -50.14 80.22 Favored Pre-proline 0 C--N 1.301 -1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 111.509 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 33.8 Cg_endo -61.61 -22.46 74.49 Favored 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.886 1.724 . . . . 0.0 113.374 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 156' ' ' ALA . 9.4 p30 -89.98 0.04 57.32 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.967 -1.083 . . . . 0.0 109.649 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.474 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 31.1 m0 -57.57 -39.52 76.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.572 -0.705 . . . . 0.0 109.912 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -51.47 -47.08 63.28 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.681 -1.262 . . . . 0.0 109.392 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.11 62.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.985 -1.072 . . . . 0.0 109.616 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 166' ' ' ASP . . . -60.01 -39.01 84.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.96 -1.088 . . . . 0.0 109.916 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.42 -40.51 97.39 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.87 -41.8 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.83 -1.169 . . . . 0.0 109.141 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 163' ' ' ALA . 65.1 t0 -90.02 119.05 30.04 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.397 -0.814 . . . . 0.0 109.984 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -96.21 41.86 2.34 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -82.68 125.27 31.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.281 -1.129 . . . . 0.0 109.945 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -85.49 145.37 21.09 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.23 61.96 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.053 -1.263 . . . . 0.0 109.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.3 p -154.89 162.55 41.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.379 -0.826 . . . . 0.0 109.649 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -97.44 111.87 23.95 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-O 121.835 0.826 . . . . 0.0 109.92 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -144.78 -19.08 0.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.843 . . . . 0.0 109.277 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.672 -1.156 . . . . 0.0 110.416 -179.244 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.77 140.31 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.0 109.575 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.1 133.32 44.1 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.015 -1.053 . . . . 0.0 110.233 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -60.39 149.44 76.93 Favored Pre-proline 0 N--CA 1.485 1.306 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -70.14 149.95 65.19 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 121.993 1.795 . . . . 0.0 110.696 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -60.88 139.88 57.86 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.429 -1.419 . . . . 0.0 107.614 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -99.65 122.16 42.28 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.741 -1.224 . . . . 0.0 109.638 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 40.7 tt0 -146.42 -86.13 0.11 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.397 -0.814 . . . . 0.0 108.914 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.67 141.59 55.3 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' NE ' ' A' ' 89' ' ' ARG . 88.0 m-70 -143.4 65.36 1.32 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.958 -1.089 . . . . 0.0 112.432 -177.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.24 89.33 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -122.3 156.11 34.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.31 116.08 17.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.692 -1.255 . . . . 0.0 108.873 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.604 ' H ' ' CD ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -70.11 -28.06 65.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.605 -0.685 . . . . 0.0 110.699 -178.41 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 94' ' ' SER . 8.9 pt-20 -58.2 -38.55 76.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.433 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.46 88.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.824 -1.173 . . . . 0.0 109.963 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.84 -51.89 67.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.951 -1.093 . . . . 0.0 108.868 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.24 -31.75 70.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -0.853 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' GLU . 47.6 t -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.241 -1.537 . . . . 0.0 109.201 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.55 -40.02 95.5 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.1 t-105 -59.91 -45.68 91.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.209 -0.932 . . . . 0.0 109.045 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 39.3 t0 -58.62 -37.83 76.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.235 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.95 -5.93 59.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 109.636 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.93 150.53 48.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.286 -0.884 . . . . 0.0 109.658 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -74.43 161.63 29.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.112 -0.992 . . . . 0.0 108.926 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 102' ' ' SER . 36.8 p-10 -60.06 -38.69 83.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.103 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.555 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 65.1 m -60.06 -40.27 88.88 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.228 -0.92 . . . . 0.0 109.516 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.484 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -67.11 -39.87 86.77 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 105' ' ' ARG . 41.0 ttt-85 -60.49 -47.12 87.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.676 -0.64 . . . . 0.0 110.153 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.04 -50.05 75.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.88 -1.138 . . . . 0.0 109.11 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.81 94.18 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.661 -1.274 . . . . 0.0 109.608 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.18 -40.0 92.28 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.607 -0.683 . . . . 0.0 110.154 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -65.81 -40.08 91.51 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 111.284 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.85 -10.57 59.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.958 -1.089 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 56.9 tp -72.85 -48.4 8.3 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 120.565 -1.334 . . . . 0.0 111.563 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 49.3 Cg_endo -64.79 -25.51 60.69 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.731 1.621 . . . . 0.0 112.041 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.48 62.6 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.968 -1.083 . . . . 0.0 109.257 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.95 -42.46 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.373 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -64.38 -41.04 96.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.885 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.7 83.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.133 -0.98 . . . . 0.0 109.496 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.43 90.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.242 -0.911 . . . . 0.0 109.497 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.35 -41.5 93.76 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.516 -0.74 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.48 -41.15 93.61 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.498 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.6 mmt -69.91 -40.24 75.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 109.306 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -40.15 96.71 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.929 -1.107 . . . . 0.0 109.161 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -63.68 -40.1 95.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.462 -0.774 . . . . 0.0 109.73 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.25 -3.4 29.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.67 36.39 33.37 Favored Glycine 0 N--CA 1.495 2.623 0 O-C-N 121.442 -0.786 . . . . 0.0 113.533 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.73 141.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.337 -1.684 . . . . 0.0 107.509 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.7 m -49.26 140.02 10.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.057 -1.027 . . . . 0.0 109.268 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 -43.67 84.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.079 -1.013 . . . . 0.0 110.085 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -59.94 -42.76 94.72 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 109.223 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.095 -1.003 . . . . 0.0 110.63 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.23 74.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 111.318 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.88 -40.12 83.59 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 109.707 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.47 89.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.102 -0.999 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.8 m -60.01 -44.96 94.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.075 -1.016 . . . . 0.0 110.291 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.16 -46.06 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.591 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.03 -29.34 69.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.688 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.45 -53.45 8.7 Favored Glycine 0 N--CA 1.482 1.734 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -70.52 -40.27 73.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -1.187 . . . . 0.0 109.805 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 135' ' ' ALA . 76.5 m-85 -97.99 135.12 40.14 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -88.07 61.32 6.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.929 -1.107 . . . . 0.0 108.922 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.79 159.95 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.595 -0.691 . . . . 0.0 109.388 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.0 m -71.76 128.97 37.49 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 109.179 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.79 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.452 -0.78 . . . . 0.0 109.687 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 93.1 p -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.089 -1.007 . . . . 0.0 110.301 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.4 m -63.45 -50.02 71.39 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.121 . . . . 0.0 110.228 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.494 -0.754 . . . . 0.0 109.536 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -59.12 -49.76 76.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.323 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.84 -42.42 97.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.143 -0.973 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -34.72 74.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 110.973 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -59.95 -49.6 77.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.041 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -62.74 -39.38 93.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.648 -1.283 . . . . 0.0 109.382 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.85 -39.73 86.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.616 -0.678 . . . . 0.0 111.919 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.2 -16.6 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.522 -1.361 . . . . 0.0 112.043 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.54 -38.5 77.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.546 -1.346 . . . . 0.0 109.526 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -73.32 -8.07 54.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.496 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -106.81 156.24 18.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.133 -0.98 . . . . 0.0 109.057 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -61.89 154.14 27.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.407 -0.808 . . . . 0.0 109.967 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 7.3 mtmp? -66.35 -40.02 31.46 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.675 -1.266 . . . . 0.0 112.104 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 93.7 Cg_endo -80.35 -23.14 6.41 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.813 1.675 . . . . 0.0 113.953 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 41.9 p-10 -84.88 1.92 44.94 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.752 -1.218 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.0 m0 -59.39 -40.07 85.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.436 -0.79 . . . . 0.0 108.976 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.6 87.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.667 -0.646 . . . . 0.0 110.702 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.49 -31.15 47.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.957 -1.089 . . . . 0.0 110.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.61 83.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.308 -0.87 . . . . 0.0 110.516 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . 0.489 ' C ' ' H ' ' A' ' 166' ' ' ASP . 94.6 mt -69.74 -29.47 66.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.91 -1.118 . . . . 0.0 109.959 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.39 45.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.811 -1.181 . . . . 0.0 109.467 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 164' ' ' LEU . 98.2 m-20 -87.17 141.61 28.52 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.189 -0.944 . . . . 0.0 109.193 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.45 168.86 1.65 Allowed Glycine 0 N--CA 1.496 2.682 0 N-CA-C 108.963 -1.655 . . . . 0.0 108.963 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -82.65 139.22 33.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.028 -1.278 . . . . 0.0 109.313 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -75.59 126.9 8.77 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 172' ' ' ARG . . . -80.89 2.4 26.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.494 -1.004 . . . . 0.0 109.09 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 55.0 p -51.66 94.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.645 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' ALA . 8.3 tpp180 -62.81 -40.0 96.04 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 109.838 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -89.87 124.2 34.49 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.162 -0.961 . . . . 0.0 109.043 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.575 179.631 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.1 ttt . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.22 140.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.16 -0.963 . . . . 0.0 109.174 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.26 -98.85 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -59.91 149.94 71.16 Favored Pre-proline 0 N--CA 1.487 1.403 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -69.93 150.4 67.15 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 120.826 1.017 . . . . 0.0 112.12 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.2 m -153.49 105.06 2.8 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tt -147.95 127.44 13.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.863 -1.148 . . . . 0.0 111.513 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 92.9 mt-10 -145.94 112.4 5.87 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.75 79.53 0.19 Allowed 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 122.311 1.053 . . . . 0.0 108.269 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -58.11 -52.94 63.46 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 85' ' ' HIS . 94.6 m-20 -144.25 -2.0 0.91 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.772 -0.58 . . . . 0.0 109.572 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 15.3 p90 -157.2 167.0 31.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.481 -0.762 . . . . 0.0 108.954 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -86.12 125.96 33.86 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -75.14 -20.81 59.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 111.226 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.34 -39.8 80.46 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.93 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.57 92.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.982 -1.074 . . . . 0.0 109.369 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.99 -42.2 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.414 -0.803 . . . . 0.0 109.448 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -69.85 -29.47 66.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.483 -0.761 . . . . 0.0 109.607 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.84 -40.08 87.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.783 -1.198 . . . . 0.0 108.75 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -61.6 -40.39 94.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.636 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -61.33 -48.79 79.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.372 -0.83 . . . . 0.0 108.813 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -58.05 -35.9 72.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -0.817 . . . . 0.0 109.522 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.95 -6.19 58.42 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.324 -0.86 . . . . 0.0 108.847 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.47 150.82 44.52 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.396 0.617 . . . . 0.0 109.624 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -74.26 161.28 30.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.3 p-10 -59.57 -39.7 84.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.069 . . . . 0.0 109.581 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.453 ' HG ' ' N ' ' A' ' 103' ' ' GLN . 85.6 p -60.44 -40.14 90.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.229 -0.919 . . . . 0.0 109.377 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' HG ' ' A' ' 102' ' ' SER . 97.7 mm-40 -65.43 -41.49 93.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.492 -0.755 . . . . 0.0 109.889 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -66.58 -40.29 88.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.893 -1.129 . . . . 0.0 109.51 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.71 -40.1 96.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.399 -0.813 . . . . 0.0 109.369 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.14 -43.31 99.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.116 -0.99 . . . . 0.0 109.155 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.29 90.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.782 -1.199 . . . . 0.0 108.811 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.24 -40.07 96.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 110.447 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.68 -40.08 95.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.621 -0.675 . . . . 0.0 110.581 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -87.14 -6.91 58.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 110.923 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.6 tp -70.01 -43.46 19.57 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.295 -1.503 . . . . 0.0 111.765 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -71.46 -21.29 26.33 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 CA-C-N 120.749 1.303 . . . . 0.0 112.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.11 -42.03 33.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 0.0 109.431 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.85 -41.85 85.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.08 -40.43 94.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.224 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.05 95.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.077 -1.014 . . . . 0.0 109.91 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.68 88.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 57.6 t0 -59.88 -42.2 93.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.362 -0.836 . . . . 0.0 110.321 -178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 118.519 -1.272 . . . . 0.0 108.761 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.5 mtt -68.74 -41.75 78.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.715 -0.616 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.71 -39.94 95.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -61.74 -39.73 92.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.907 -1.12 . . . . 0.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -72.76 0.33 11.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 109.323 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.97 33.91 56.62 Favored Glycine 0 N--CA 1.492 2.412 0 O-C-N 120.768 -1.207 . . . . 0.0 110.996 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.65 140.23 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.5 m -59.96 141.12 56.14 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.997 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.7 p -53.91 -46.04 71.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.642 -1.286 . . . . 0.0 109.593 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.97 -49.69 75.93 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.976 -1.077 . . . . 0.0 109.276 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.8 m -68.26 -41.18 81.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.059 -1.026 . . . . 0.0 109.616 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.91 75.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 110.431 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -69.96 -39.85 75.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.535 -1.353 . . . . 0.0 109.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.1 90.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.841 -1.162 . . . . 0.0 108.823 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -48.85 79.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.19 -48.85 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.11 -30.91 70.65 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.806 -0.559 . . . . 0.0 109.577 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.03 25.5 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.97 -40.27 68.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.255 -1.144 . . . . 0.0 109.789 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.8 m-85 -100.83 137.0 39.8 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -85.36 67.68 10.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.972 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.72 156.37 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.282 -0.886 . . . . 0.0 109.779 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.7 t -72.6 132.02 43.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.48 93.31 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.013 -1.054 . . . . 0.0 109.967 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.8 t -63.6 -40.05 95.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 110.345 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 82.2 m -63.7 -50.72 68.07 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.691 -1.255 . . . . 0.0 109.485 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.56 -40.47 91.72 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.297 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -60.02 -48.51 81.43 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 0.0 110.069 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.06 -43.66 95.24 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.041 -1.037 . . . . 0.0 109.995 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.33 -40.02 85.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.589 -0.695 . . . . 0.0 110.473 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.127 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.36 -38.68 90.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.562 -1.336 . . . . 0.0 109.964 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.45 -38.82 81.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.57 -12.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.976 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.07 -39.71 82.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.823 -1.173 . . . . 0.0 109.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -72.86 -2.28 20.07 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.138 -0.977 . . . . 0.0 109.195 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.05 141.6 48.58 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -67.78 153.37 43.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.838 -1.164 . . . . 0.0 109.099 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 81.9 mttt -50.1 -51.35 62.99 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.018 -1.051 . . . . 0.0 112.419 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 5.5 Cg_endo -48.61 -40.97 38.05 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.641 1.56 . . . . 0.0 114.215 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 159' ' ' ASP . 6.7 p-10 -89.76 4.6 49.18 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.739 -1.225 . . . . 0.0 110.834 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.479 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.9 m0 -58.45 -39.92 81.22 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.854 -1.153 . . . . 0.0 108.923 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.78 68.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 109.329 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.58 64.03 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.213 -0.93 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.85 90.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.691 . . . . 0.0 110.212 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.23 -23.21 62.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 110.358 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.8 t -68.2 -40.95 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.95 130.59 36.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.496 -0.753 . . . . 0.0 109.642 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -178.35 20.89 0.04 OUTLIER Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -82.05 -9.53 59.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.327 -1.102 . . . . 0.0 109.898 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -59.74 141.76 47.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.69 121.48 25.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 0.0 109.733 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 59.5 m -104.03 12.17 34.43 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.451 -0.781 . . . . 0.0 109.734 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -79.81 101.85 8.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.712 -1.242 . . . . 0.0 109.527 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -100.01 127.96 46.15 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.891 -1.131 . . . . 0.0 109.349 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.718 HD21 ' H ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 O-C-N 120.94 -1.1 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.32 140.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.325 -0.859 . . . . 0.0 108.689 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.56 107.51 12.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.18 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -69.98 149.82 96.34 Favored Pre-proline 0 N--CA 1.498 1.972 0 C-N-CA 117.646 -1.622 . . . . 0.0 107.237 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -61.43 148.74 92.2 Favored 'Trans proline' 0 N--CA 1.513 2.632 0 C-N-CA 122.148 1.899 . . . . 0.0 111.201 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.8 m -61.28 140.22 58.01 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.416 -1.428 . . . . 0.0 107.895 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -92.7 89.18 6.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.881 -1.137 . . . . 0.0 108.978 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -175.01 -18.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.02 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.25 -43.49 6.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.126 -0.984 . . . . 0.0 111.874 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 141.16 37.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.088 -1.008 . . . . 0.0 110.106 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -98.58 0.95 45.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -107.59 169.54 8.52 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.999 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -69.87 110.21 4.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.043 -1.036 . . . . 0.0 108.631 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.71 -39.7 94.86 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.403 -0.811 . . . . 0.0 110.168 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' O ' ' OG ' ' A' ' 94' ' ' SER . 97.3 mt-10 -59.82 -39.81 86.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.223 -0.923 . . . . 0.0 111.483 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.93 -39.87 72.29 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.315 -1.491 . . . . 0.0 110.955 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.1 tp -77.38 -57.68 3.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.999 -1.063 . . . . 0.0 110.94 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -69.82 -30.71 68.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.223 -0.923 . . . . 0.0 111.62 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 61.0 m -60.23 -40.53 90.53 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.256 -1.527 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -61.13 -41.28 96.44 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.52 -46.31 90.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.548 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 59.0 t0 -56.72 -34.3 67.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.25 -0.906 . . . . 0.0 109.074 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.81 -0.58 51.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.859 -1.151 . . . . 0.0 109.574 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.66 152.56 44.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.445 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -72.83 158.95 34.56 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 102' ' ' SER . 39.3 p-10 -59.8 -40.21 87.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.723 -1.236 . . . . 0.0 109.876 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 71.6 m -60.46 -39.89 89.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.885 -1.134 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.66 -39.92 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.372 -0.83 . . . . 0.0 109.253 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.3 mtt180 -65.2 -40.86 94.75 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.835 -0.54 . . . . 0.0 110.082 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -62.09 -40.19 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.78 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.87 -49.07 79.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.724 -1.235 . . . . 0.0 108.877 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.39 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.306 -0.871 . . . . 0.0 109.514 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.65 -40.22 94.14 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.222 -0.924 . . . . 0.0 110.528 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.0 -40.47 96.42 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.078 -1.014 . . . . 0.0 110.486 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -81.22 -9.73 59.73 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.265 -0.897 . . . . 0.0 111.471 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 17.9 tp -72.76 -45.57 9.15 Favored Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.445 -1.409 . . . . 0.0 112.262 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 47.1 Cg_endo -67.21 -26.78 41.87 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.858 1.342 . . . . 0.0 112.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.99 31.64 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.883 -1.136 . . . . 0.0 110.017 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 38.6 t -70.03 -42.55 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.052 . . . . 0.0 108.406 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.09 -41.03 91.19 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.298 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.58 91.51 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.13 88.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.89 -1.131 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 58.9 t0 -59.09 -45.05 91.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.667 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.74 -40.14 88.22 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.153 -0.967 . . . . 0.0 109.102 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.29 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.398 -0.814 . . . . 0.0 109.368 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.18 -39.98 78.39 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.674 0.749 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' A' ' 124' ' ' GLY . 94.9 m-20 -60.63 -37.17 80.59 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.456 -0.778 . . . . 0.0 110.062 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.99 -0.43 2.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 122' ' ' ASN . . . 76.73 26.82 62.01 Favored Glycine 0 N--CA 1.497 2.766 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.817 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.66 139.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.961 -1.317 . . . . 0.0 108.957 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -55.64 141.16 38.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.213 -0.93 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.4 p -56.81 -48.71 77.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.993 -1.067 . . . . 0.0 110.381 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.14 -41.2 92.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.898 -1.126 . . . . 0.0 108.959 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.9 m -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.023 -1.048 . . . . 0.0 108.216 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.9 70.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.637 -0.664 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -69.93 -39.77 75.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.127 -0.983 . . . . 0.0 109.927 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.59 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.992 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.4 m -60.11 -43.98 95.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.639 -0.663 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.35 -47.37 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 109.822 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.98 68.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.92 -1.112 . . . . 0.0 109.276 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.7 -47.6 47.74 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -78.15 -41.33 35.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.125 -1.221 . . . . 0.0 108.921 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -96.68 131.62 43.17 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.54 -0.725 . . . . 0.0 110.067 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -85.07 62.28 7.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.161 -0.962 . . . . 0.0 110.16 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.3 160.22 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 71.2 m -72.11 134.61 45.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.463 -0.773 . . . . 0.0 109.112 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.51 91.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.071 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.5 t -64.13 -40.14 95.53 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.453 -0.779 . . . . 0.0 110.943 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.0 m -61.55 -50.0 74.44 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.624 -1.298 . . . . 0.0 110.875 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.5 -40.84 92.85 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.85 -1.156 . . . . 0.0 109.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.925 -0.484 . . . . 0.0 110.459 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.95 -40.31 95.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.825 -1.172 . . . . 0.0 109.898 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.37 -38.6 81.54 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -59.7 -46.6 88.6 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.176 -0.952 . . . . 0.0 110.471 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -67.73 -39.56 84.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.913 -1.117 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.94 -39.92 87.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.81 -4.85 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.084 -1.01 . . . . 0.0 109.985 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.88 -39.85 82.64 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -77.83 -4.83 48.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 110.561 -178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . 0.454 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 86.1 m-85 -109.87 141.14 42.98 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -53.23 148.76 8.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.351 -0.843 . . . . 0.0 109.182 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 37.2 mttp -59.42 -42.63 93.44 Favored Pre-proline 0 C--N 1.304 -1.398 0 O-C-N 121.552 -0.717 . . . . 0.0 112.605 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 55.6 Cg_endo -68.32 -32.48 26.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.777 1.313 . . . . 0.0 113.897 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 5.8 p-10 -83.78 1.81 41.11 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.719 -1.238 . . . . 0.0 109.787 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 m0 -58.63 -39.21 79.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.207 -0.933 . . . . 0.0 109.121 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.4 71.59 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.499 -0.75 . . . . 0.0 109.594 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.21 -32.44 66.76 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.616 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.2 68.62 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.901 -1.124 . . . . 0.0 109.739 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.3 -37.22 77.7 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.086 -1.009 . . . . 0.0 111.299 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.423 HG21 ' H ' ' A' ' 166' ' ' ASP . 2.4 m -70.98 -100.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 119.956 -1.715 . . . . 0.0 110.534 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.423 ' H ' HG21 ' A' ' 165' ' ' VAL . 96.1 m-20 -83.97 124.94 31.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.604 -1.31 . . . . 0.0 110.158 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -99.82 148.35 18.52 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -85.19 139.91 31.3 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -1.122 . . . . 0.0 108.858 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -157.23 -9.34 0.06 OUTLIER Glycine 0 N--CA 1.495 2.575 0 C-N-CA 119.903 -1.142 . . . . 0.0 110.485 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.36 135.81 36.81 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.287 -1.125 . . . . 0.0 110.016 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 74.1 m -99.71 110.34 22.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -108.88 5.84 24.84 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.858 -0.526 . . . . 0.0 109.909 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -90.99 -1.86 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.708 HD21 ' N ' ' A' ' 174' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.047 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.525 ' SD ' ' N ' ' A' ' 76' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.122 0.486 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.8 mt -63.97 142.48 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.82 122.91 12.12 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.958 -1.089 . . . . 0.0 110.239 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -59.92 -32.65 12.51 Favored Pre-proline 0 C--N 1.307 -1.281 0 C-N-CA 118.163 -1.415 . . . . 0.0 111.888 -179.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 32.7 Cg_exo -59.97 148.91 87.02 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 121.534 1.49 . . . . 0.0 110.939 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -60.07 140.27 56.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.881 -1.137 . . . . 0.0 109.773 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 mt -87.94 137.87 31.95 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.977 -1.077 . . . . 0.0 110.214 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -131.38 10.49 4.84 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.91 3.79 28.38 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.86 -1.15 . . . . 0.0 110.319 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.544 ' CD2' ' HH ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -136.77 177.87 7.52 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.331 -0.856 . . . . 0.0 110.247 -178.527 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -119.46 10.85 11.98 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.544 ' HH ' ' CD2' ' A' ' 85' ' ' HIS . 53.0 p90 -98.77 156.86 16.64 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.466 -1.396 . . . . 0.0 109.763 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.97 110.27 0.89 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.131 -0.98 . . . . 0.0 109.703 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.278 -0.889 . . . . 0.0 110.497 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.27 -30.29 70.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.27 -0.894 . . . . 0.0 112.05 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.83 -52.65 63.28 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.68 -1.262 . . . . 0.0 111.564 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.9 tp -84.56 -45.88 12.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.65 -1.281 . . . . 0.0 111.337 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -67.24 -27.68 67.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.573 -1.329 . . . . 0.0 111.821 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -59.82 -39.95 86.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.313 -1.492 . . . . 0.0 108.473 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.23 -42.59 95.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 108.333 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -62.47 -47.7 82.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.542 -0.724 . . . . 0.0 110.372 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.82 -36.85 70.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.086 -1.009 . . . . 0.0 109.698 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -81.54 -6.0 58.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.142 -0.974 . . . . 0.0 109.633 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.15 152.14 46.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.002 -1.061 . . . . 0.0 108.898 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -75.04 162.39 28.61 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.958 -1.089 . . . . 0.0 109.128 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.73 -39.76 85.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.006 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.4 p -59.96 -39.93 87.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 110.205 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.14 -40.07 95.36 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.091 -1.006 . . . . 0.0 110.521 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.0 mtm-85 -65.45 -40.0 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.739 -1.226 . . . . 0.0 109.628 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -59.99 -43.79 94.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.262 -0.899 . . . . 0.0 109.101 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.19 -48.67 80.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.508 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.51 86.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.102 . . . . 0.0 108.892 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.89 -38.33 81.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.433 -0.792 . . . . 0.0 109.459 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.59 -39.99 94.73 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.25 -0.906 . . . . 0.0 111.044 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -82.7 -6.24 59.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.147 -0.971 . . . . 0.0 111.714 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.461 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 4.4 tp -77.16 -46.69 2.71 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 120.006 -1.684 . . . . 0.0 111.314 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.8 Cg_endo -67.12 -26.66 42.6 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.197 1.265 . . . . 0.0 112.497 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.12 -39.99 62.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.033 -1.042 . . . . 0.0 109.405 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.3 t -69.16 -45.09 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.68 -40.21 96.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.927 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.23 84.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.061 -1.024 . . . . 0.0 108.618 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.44 91.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.431 -0.793 . . . . 0.0 110.195 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.9 -42.54 94.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.875 -1.14 . . . . 0.0 109.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.76 -40.32 92.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.358 -0.839 . . . . 0.0 108.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.49 -40.05 95.43 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.586 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.01 -40.0 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.07 -40.18 88.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.035 -1.041 . . . . 0.0 109.087 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -70.2 -6.91 37.82 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.93 30.31 68.13 Favored Glycine 0 N--CA 1.496 2.699 0 O-C-N 121.112 -0.992 . . . . 0.0 111.095 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.46 146.42 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.865 -1.374 . . . . 0.0 109.126 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.2 t -49.87 137.99 15.72 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.937 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.4 p -59.17 -45.58 90.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 109.757 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -56.29 -48.81 75.9 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 108.812 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.2 m -68.17 -41.12 81.97 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.329 -0.857 . . . . 0.0 110.514 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.0 75.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.856 -1.152 . . . . 0.0 110.447 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.525 ' CE2' ' NH1' ' A' ' 146' ' ' ARG . 54.7 m-85 -67.61 -39.95 84.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.007 -1.058 . . . . 0.0 110.228 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.24 93.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -0.944 . . . . 0.0 109.548 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.9 m -61.15 -40.54 94.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.072 -1.017 . . . . 0.0 109.47 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.94 -42.29 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 0.0 108.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.23 -36.68 84.86 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.4 -0.813 . . . . 0.0 109.254 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.37 79.89 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.47 -44.52 35.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.409 -1.054 . . . . 0.0 109.75 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 135' ' ' ALA . 89.7 m-85 -97.2 139.17 33.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.243 -0.911 . . . . 0.0 109.571 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -82.93 61.02 5.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.409 -0.807 . . . . 0.0 108.902 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 159.53 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.547 -0.721 . . . . 0.0 109.624 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' A' ' 141' ' ' SER . 3.9 p -78.81 132.16 36.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 108.578 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.09 94.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.747 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 57.9 m -61.59 -40.95 96.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.185 -0.947 . . . . 0.0 110.565 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.8 m -65.38 -45.74 82.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.964 -1.085 . . . . 0.0 109.563 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.98 -38.64 83.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 109.411 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.525 ' NH1' ' CE2' ' A' ' 131' ' ' PHE . 26.5 ttm-85 -59.23 -50.03 75.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.03 -1.044 . . . . 0.0 110.026 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.98 -40.72 96.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.311 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -39.64 86.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.511 -0.743 . . . . 0.0 111.623 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -59.86 -46.32 89.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.75 -1.219 . . . . 0.0 110.17 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.43 -37.44 83.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.753 -1.217 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.18 -39.95 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 111.117 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.83 -10.03 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.924 -1.11 . . . . 0.0 109.698 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.9 -38.66 79.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.273 -0.892 . . . . 0.0 109.085 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.42 -9.89 59.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.338 -0.851 . . . . 0.0 110.71 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.85 145.96 29.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.916 -1.115 . . . . 0.0 110.08 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.16 41.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.739 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 90.3 mttt -49.53 -52.57 48.97 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 121.516 -0.74 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 29.7 Cg_endo -60.04 -26.16 81.67 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.413 1.409 . . . . 0.0 112.298 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.458 ' OD1' ' OH ' ' A' ' 87' ' ' TYR . 96.5 m-20 -87.02 -3.21 59.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.092 -1.005 . . . . 0.0 110.477 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.055 -1.028 . . . . 0.0 109.647 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.888 -1.133 . . . . 0.0 108.695 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 166' ' ' ASP . . . -75.37 -30.64 60.24 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.33 71.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.978 -1.076 . . . . 0.0 110.515 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.83 -39.62 76.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.251 -0.906 . . . . 0.0 112.13 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.18 -41.64 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.581 -1.324 . . . . 0.0 110.128 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 162' ' ' ALA . 3.2 p30 -87.48 158.65 18.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.161 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -152.72 2.66 0.31 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -84.03 132.21 34.75 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -1.084 . . . . 0.0 108.638 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -63.78 135.46 41.11 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.51 -12.04 59.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 110.065 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.4 t -147.25 145.25 29.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.241 -0.912 . . . . 0.0 109.808 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -116.77 127.28 54.19 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -90.67 -74.79 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.416 -0.802 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.844 0 O-C-N 120.903 -1.123 . . . . 0.0 109.721 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.6 ttm . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 pt -60.39 140.07 18.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.75 -91.66 0.09 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.653 -1.28 . . . . 0.0 110.052 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -59.95 148.93 75.64 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.13 142.69 97.66 Favored 'Trans proline' 0 N--CA 1.503 2.059 0 CA-C-N 120.742 1.301 . . . . 0.0 113.09 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -157.25 100.71 1.85 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.032 -1.042 . . . . 0.0 108.234 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 tp -151.01 11.32 0.64 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.748 -1.22 . . . . 0.0 110.201 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -58.18 139.42 54.94 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.543 -1.348 . . . . 0.0 108.993 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.3 92.51 3.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.703 -1.248 . . . . 0.0 107.854 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -42.12 95.32 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.296 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 1.7 t70 -148.2 -14.35 0.35 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.884 -1.135 . . . . 0.0 108.258 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 16.5 p90 -151.05 159.98 44.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.307 -0.871 . . . . 0.0 108.811 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 22.9 p-10 -99.24 115.73 29.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.976 -1.078 . . . . 0.0 109.438 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.589 ' NH1' ' HE1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -107.87 27.15 9.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.226 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -41.02 91.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 108.615 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' O ' ' OG ' ' A' ' 94' ' ' SER . . . -62.34 -39.57 93.53 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.54 -49.57 77.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.162 -0.961 . . . . 0.0 109.453 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.589 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 70.6 m95 -67.8 -29.42 68.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 91' ' ' ALA . 79.3 p -58.94 -39.07 80.5 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.612 -1.305 . . . . 0.0 108.014 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -61.58 -40.13 93.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.295 -0.878 . . . . 0.0 109.051 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 5.0 t-105 -60.45 -48.29 82.39 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 64.8 t0 -57.49 -35.82 70.69 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -83.72 -6.76 59.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 108.958 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 147.69 52.53 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.036 -1.04 . . . . 0.0 109.368 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.1 t -74.06 162.38 29.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.554 -0.716 . . . . 0.0 109.443 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.26 -41.13 88.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.93 -1.106 . . . . 0.0 109.684 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.229 -0.919 . . . . 0.0 109.402 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.13 -40.74 94.86 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.161 -0.962 . . . . 0.0 109.054 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -68.54 -39.95 80.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.036 . . . . 0.0 109.747 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.237 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.91 -48.46 81.59 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.31 88.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.399 -0.813 . . . . 0.0 109.197 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.68 -40.29 94.47 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.896 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -64.63 -39.63 94.04 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 111.079 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 61.5 m95 -80.95 -10.24 59.74 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.256 -0.903 . . . . 0.0 110.799 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.471 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.8 tp -71.3 -47.04 13.86 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 120.519 -1.363 . . . . 0.0 111.869 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 37.8 Cg_endo -63.23 -29.6 73.53 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 CA-C-N 120.718 1.292 . . . . 0.0 112.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.56 -43.76 30.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.696 -1.252 . . . . 0.0 109.801 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.3 t -70.1 -40.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.874 -1.141 . . . . 0.0 109.048 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -67.24 -40.17 86.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.211 -0.931 . . . . 0.0 109.627 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.25 95.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.608 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.01 89.03 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.22 -44.61 92.3 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.136 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 88.1 tt0 -61.01 -40.19 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.463 -0.773 . . . . 0.0 109.379 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.38 -40.03 92.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.085 -1.009 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -40.29 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.281 -0.887 . . . . 0.0 111.151 -177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.7 p30 -68.51 -17.45 64.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.845 -1.159 . . . . 0.0 110.167 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 41.3 tp60 -81.62 -1.02 45.06 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.25 21.39 78.51 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.168 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.89 149.36 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.923 -1.339 . . . . 0.0 109.102 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.6 m -59.9 141.04 56.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 p -58.54 -42.57 88.13 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.243 0.544 . . . . 0.0 110.122 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.11 -45.94 91.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.943 -1.098 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.6 m -69.18 -39.97 78.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.967 -1.083 . . . . 0.0 108.903 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.96 71.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.393 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.75 -39.21 76.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.83 93.35 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.2 m -60.85 -42.03 97.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 109.951 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.88 -42.97 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.969 -1.082 . . . . 0.0 109.291 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.86 -31.06 71.79 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 109.171 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.55 -44.65 63.11 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -79.21 -42.7 25.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.1 m-85 -99.84 136.65 39.44 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -86.54 69.12 10.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.285 -0.884 . . . . 0.0 109.623 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.86 157.25 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.709 -0.619 . . . . 0.0 109.652 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.6 t -74.12 130.34 39.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.501 -0.749 . . . . 0.0 110.432 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.02 -1.05 . . . . 0.0 109.331 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -63.53 -40.78 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.835 -1.165 . . . . 0.0 110.22 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 95.8 m -64.31 -51.96 60.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.589 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.77 -40.77 93.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 110.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -60.13 -50.89 71.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.999 -1.063 . . . . 0.0 110.621 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.41 -41.54 97.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.098 -1.001 . . . . 0.0 109.594 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.571 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 51.6 mtpt -63.56 -38.51 91.41 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.664 -0.648 . . . . 0.0 110.588 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -60.06 -42.6 94.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.132 -0.98 . . . . 0.0 109.596 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -69.54 -38.42 77.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.905 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.18 -39.0 84.96 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -77.8 -8.22 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.66 -1.275 . . . . 0.0 111.512 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.95 -37.23 78.93 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.107 -0.996 . . . . 0.0 110.292 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -76.85 -10.3 59.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.277 -0.89 . . . . 0.0 109.978 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.88 143.5 33.07 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.391 -0.818 . . . . 0.0 109.061 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.47 146.64 39.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 66.6 mttt -49.79 -49.77 71.54 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 0.0 111.439 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 50.6 Cg_endo -68.12 -20.01 44.35 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 120.463 1.201 . . . . 0.0 111.797 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 54.1 t0 -83.39 -9.4 59.06 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.528 -0.732 . . . . 0.0 109.357 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -57.6 -39.98 78.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.125 -0.985 . . . . 0.0 110.021 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.35 79.05 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.733 -1.23 . . . . 0.0 109.784 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -32.51 62.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.11 71.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.167 -0.958 . . . . 0.0 110.096 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.48 -8.93 57.94 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.173 -0.955 . . . . 0.0 110.092 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.77 -26.01 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.53 117.26 21.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.039 -1.038 . . . . 0.0 109.594 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -90.87 -154.64 30.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -82.1 126.38 31.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.411 -1.052 . . . . 0.0 109.236 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -84.18 138.93 17.84 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -82.89 112.13 19.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.955 -1.321 . . . . 0.0 109.541 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 86.3 p -159.9 161.26 34.28 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -112.66 130.08 56.17 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.8 132.43 39.59 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.318 -0.864 . . . . 0.0 108.889 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.658 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.781 ' H1 ' HH11 ' A' ' 79' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -30.36 45.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.28 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.56 99.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.081 -1.637 . . . . 0.0 109.582 -176.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.781 HH11 ' H1 ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.03 149.96 72.02 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -70.36 149.99 63.92 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 CA-C-N 120.195 1.105 . . . . 0.0 112.54 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.668 ' CG2' ' HE1' ' A' ' 93' ' ' TRP . 7.0 m -79.6 -9.85 59.7 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.12 -0.988 . . . . 0.0 110.381 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.2 130.1 39.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.464 1.126 . . . . 0.0 110.857 -176.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.626 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 12.1 tp10 -172.56 -126.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.21 116.73 29.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.242 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.656 ' CE1' ' NE ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -172.3 125.23 0.51 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.123 -0.986 . . . . 0.0 109.015 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 45.4 t0 -76.97 -14.74 59.81 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 17.6 p90 -96.94 140.3 31.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.392 -0.817 . . . . 0.0 109.45 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.24 127.59 33.6 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.968 -1.083 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.656 ' NE ' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -86.23 -22.24 27.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.423 -0.798 . . . . 0.0 110.309 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 48.7 mp0 -60.0 -44.16 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.572 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.77 84.36 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.959 -1.088 . . . . 0.0 109.136 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.08 -49.9 75.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.097 -1.002 . . . . 0.0 109.353 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.668 ' HE1' ' CG2' ' A' ' 81' ' ' THR . 79.2 m95 -68.33 -30.13 69.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 70.6 m -59.99 -39.32 85.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.883 -1.136 . . . . 0.0 109.064 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.88 -40.0 94.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.569 -1.332 . . . . 0.0 108.618 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.493 ' CZ2' ' NE ' ' A' ' 104' ' ' ARG . 4.4 t-105 -60.85 -46.2 91.51 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.94 -40.27 88.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.27 -0.894 . . . . 0.0 110.226 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.16 -1.4 58.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.508 -0.745 . . . . 0.0 109.831 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 160.84 31.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.252 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.3 t -71.9 154.06 41.47 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.776 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -60.01 -39.93 87.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.736 . . . . 0.0 109.285 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.1 p -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 109.932 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.8 -40.52 92.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.944 -1.097 . . . . 0.0 109.876 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.493 ' NE ' ' CZ2' ' A' ' 96' ' ' TRP . 61.2 mtp180 -63.1 -38.23 90.36 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.88 -1.138 . . . . 0.0 109.317 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -60.69 -41.83 95.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.121 -0.987 . . . . 0.0 109.77 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.013 -1.054 . . . . 0.0 109.266 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.01 94.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.719 -1.238 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.62 -39.97 93.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 0.0 109.41 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.94 -40.95 97.62 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.19 -0.944 . . . . 0.0 111.988 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -85.47 -7.64 58.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.902 -1.124 . . . . 0.0 111.537 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.6 tp -73.63 -45.63 7.27 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.616 -1.302 . . . . 0.0 112.171 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 23.8 Cg_endo -61.34 -27.34 82.87 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 CA-C-N 121.274 1.491 . . . . 0.0 110.526 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.63 -46.15 19.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.633 -0.667 . . . . 0.0 109.783 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 115' ' ' GLN . 0.8 OUTLIER -68.3 -42.84 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.982 -1.074 . . . . 0.0 110.147 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.442 ' N ' ' CG1' ' A' ' 114' ' ' VAL . 12.7 tt0 -63.03 -40.19 96.99 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 108.687 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.95 93.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.398 -0.814 . . . . 0.0 109.323 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.4 -43.92 92.89 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 0.0 109.205 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.71 -40.4 92.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.266 -0.896 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.83 -40.08 91.44 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.943 -1.098 . . . . 0.0 108.983 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.65 -39.11 91.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.274 -0.891 . . . . 0.0 109.198 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.6 -40.0 90.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.829 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.35 -1.88 17.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.216 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.43 36.8 69.47 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 120.973 -1.079 . . . . 0.0 111.587 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.7 mt -82.32 148.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.989 -1.301 . . . . 0.0 109.01 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -56.86 139.68 50.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 108.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -56.61 -44.43 81.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.239 -0.913 . . . . 0.0 110.575 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.48 -43.99 93.16 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.93 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.0 m -70.52 -42.13 71.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.034 -1.041 . . . . 0.0 109.923 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.82 70.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.26 -0.9 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.15 -39.49 89.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.125 -0.984 . . . . 0.0 108.828 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.918 -1.113 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.2 m -61.52 -44.85 96.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.188 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.82 -40.1 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 120.908 -1.12 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.14 -27.41 66.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.227 -0.921 . . . . 0.0 108.81 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.27 -47.05 13.65 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.25 -40.76 77.66 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.939 -1.33 . . . . 0.0 109.408 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.7 m-85 -105.52 136.95 44.17 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.885 -0.51 . . . . 0.0 109.777 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -78.96 66.91 4.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.288 -0.883 . . . . 0.0 108.676 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.16 158.54 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.8 m -76.34 129.32 36.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 108.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.15 87.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.92 -1.112 . . . . 0.0 109.311 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.3 m -64.12 -40.08 95.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.398 -0.814 . . . . 0.0 110.478 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.3 m -64.7 -49.92 68.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.149 -0.969 . . . . 0.0 109.719 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.08 -41.7 93.02 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.518 -0.739 . . . . 0.0 109.638 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.6 -50.37 74.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.514 -0.741 . . . . 0.0 110.174 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.35 -41.1 96.51 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.083 -1.01 . . . . 0.0 109.847 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.26 -35.3 75.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.7 -39.97 86.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.133 -0.979 . . . . 0.0 109.871 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -68.85 -37.63 79.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 109.668 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -39.38 85.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.681 -0.637 . . . . 0.0 110.879 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.421 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 20.8 m -77.67 -10.79 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.721 -1.237 . . . . 0.0 110.786 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.08 -37.29 79.47 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.845 -1.159 . . . . 0.0 109.458 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.16 -11.02 59.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 0.0 109.132 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.73 140.5 37.97 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.195 -0.941 . . . . 0.0 109.577 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.31 145.0 33.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.046 -1.034 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.53 ' CB ' ' HZ1' ' A' ' 157' ' ' LYS . 7.9 mtmp? -47.26 -50.83 45.95 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.829 -0.545 . . . . 0.0 110.964 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 48.8 Cg_endo -65.8 -27.73 51.63 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 CA-C-N 120.536 1.227 . . . . 0.0 111.151 178.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -80.52 -6.09 57.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 152' ' ' VAL . 31.0 m0 -59.9 -40.24 88.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.002 -1.062 . . . . 0.0 109.914 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.028 -1.045 . . . . 0.0 108.882 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.05 69.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.3 71.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.261 -0.899 . . . . 0.0 111.728 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 58.7 mt -73.93 0.12 14.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.101 -1.0 . . . . 0.0 111.094 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 25.2 m -70.82 -17.13 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.629 -1.295 . . . . 0.0 109.131 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -83.67 113.65 21.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -119.0 167.66 13.2 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.77 139.05 36.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.176 -1.191 . . . . 0.0 109.277 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -155.66 -90.39 0.08 OUTLIER Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -77.21 136.9 38.58 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.415 -1.05 . . . . 0.0 108.944 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 44.8 m -126.99 140.11 52.55 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 172' ' ' ARG . 43.3 mtt-85 -79.6 147.81 31.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.569 -0.707 . . . . 0.0 109.352 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.413 ' NH1' ' HG3' ' A' ' 173' ' ' ARG . 7.2 ptm180 -90.45 -5.58 55.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.23 -0.919 . . . . 0.0 109.941 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.498 1.934 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 mmt . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.431 ' CG2' ' H ' ' A' ' 78' ' ' ALA . 3.7 mt 55.73 -139.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' H ' ' CG2' ' A' ' 77' ' ' ILE . . . -161.58 35.47 0.13 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.826 -1.171 . . . . 0.0 107.933 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -69.69 149.74 96.76 Favored Pre-proline 0 C--N 1.294 -1.827 0 C-N-CA 118.144 -1.422 . . . . 0.0 108.531 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -69.59 150.02 68.68 Favored 'Trans proline' 0 N--CA 1.509 2.429 0 C-N-CA 122.862 2.374 . . . . 0.0 110.746 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.6 m -59.49 141.55 54.52 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.127 -1.608 . . . . 0.0 110.5 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.95 159.98 41.13 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.78 0.8 . . . . 0.0 109.394 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 18.3 pt-20 -136.55 133.27 36.26 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.414 ' N ' ' NH1' ' A' ' 89' ' ' ARG . . . -45.15 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.855 -1.153 . . . . 0.0 109.816 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.19 -64.2 1.19 Allowed 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.116 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -127.82 0.12 6.03 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.579 0.704 . . . . 0.0 109.346 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 15.6 p90 -156.99 163.26 39.3 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -99.9 117.8 34.96 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.984 -1.072 . . . . 0.0 109.638 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.755 ' NE ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -72.15 -18.1 61.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 110.531 -179.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -56.86 -39.93 75.19 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 120.601 -1.312 . . . . 0.0 109.22 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.65 94.66 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.92 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.49 -46.47 66.52 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.292 -0.88 . . . . 0.0 110.12 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -67.57 -30.65 70.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.0 t -59.99 -39.9 87.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.851 -1.156 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.03 -39.86 96.02 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.842 -1.161 . . . . 0.0 108.438 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.482 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.3 t-105 -60.52 -44.66 95.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.657 -0.652 . . . . 0.0 109.368 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 58.4 t0 -54.11 -35.75 62.48 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.498 -0.751 . . . . 0.0 109.137 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -85.74 -9.15 57.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.794 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.65 142.01 58.2 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.837 -1.164 . . . . 0.0 108.65 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.5 p -71.5 162.27 29.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 109.993 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 102' ' ' SER . 37.3 p-10 -59.92 -39.85 86.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.483 -0.76 . . . . 0.0 109.858 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.57 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 80.2 p -59.94 -40.02 87.5 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.873 -1.142 . . . . 0.0 108.805 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -65.4 -39.91 92.79 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.357 -0.839 . . . . 0.0 108.742 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -66.15 -39.96 90.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.688 -0.633 . . . . 0.0 110.556 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -60.75 -42.38 97.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.518 -0.739 . . . . 0.0 109.931 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.24 -50.75 72.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.16 89.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.207 -0.933 . . . . 0.0 109.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.31 -39.67 87.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.408 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -64.95 -40.08 94.48 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.227 -0.92 . . . . 0.0 110.804 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -80.57 -10.3 59.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.501 -0.749 . . . . 0.0 111.367 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.416 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 36.6 tp -73.33 -48.13 7.38 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.462 -1.398 . . . . 0.0 111.461 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 58.2 Cg_endo -68.89 -24.62 33.64 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 120.998 1.392 . . . . 0.0 112.75 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.44 39.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.912 -1.117 . . . . 0.0 110.157 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.49 -42.8 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.26 -42.61 96.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.0 97.46 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.52 94.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 108.884 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -42.05 84.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.463 -0.773 . . . . 0.0 110.045 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.48 -40.02 94.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.958 -1.089 . . . . 0.0 109.378 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 75.6 mtp -61.69 -39.98 93.38 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.943 -1.098 . . . . 0.0 110.05 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.25 -37.37 87.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 0.0 109.194 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -38.44 82.72 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 109.848 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -73.99 -5.62 42.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.986 -1.071 . . . . 0.0 108.484 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.27 35.96 56.22 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.455 -0.778 . . . . 0.0 111.207 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.1 140.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.273 -1.134 . . . . 0.0 109.226 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -47.96 131.99 15.3 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.055 -1.028 . . . . 0.0 109.78 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 p -57.65 -41.61 81.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.482 -0.761 . . . . 0.0 110.748 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.78 -48.26 82.39 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.651 -1.28 . . . . 0.0 108.556 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.4 m -67.86 -40.53 83.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.923 -1.111 . . . . 0.0 108.921 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.59 73.1 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.387 -0.821 . . . . 0.0 110.728 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -67.78 -40.11 84.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.758 -1.214 . . . . 0.0 109.512 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.6 93.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.979 -1.076 . . . . 0.0 110.117 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -61.35 -42.05 98.06 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.063 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.1 t -66.48 -46.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.794 -0.566 . . . . 0.0 109.891 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.16 -38.55 86.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.756 -1.215 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.26 -44.73 90.19 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -75.4 -44.96 41.88 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.172 -1.193 . . . . 0.0 110.071 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 83.7 m-85 -95.77 137.69 34.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.235 -0.916 . . . . 0.0 108.757 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.05 60.1 5.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.663 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.68 157.45 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-O 121.638 0.733 . . . . 0.0 109.605 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.9 m -73.09 134.94 44.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.566 -0.709 . . . . 0.0 109.738 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.36 85.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.983 -1.073 . . . . 0.0 108.54 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.3 t -63.52 -40.68 97.67 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.503 -0.748 . . . . 0.0 110.619 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.4 m -61.95 -50.01 73.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.347 -0.846 . . . . 0.0 110.052 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.59 -40.51 92.03 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.122 -0.986 . . . . 0.0 109.91 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.19 -51.95 67.41 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.164 -0.96 . . . . 0.0 110.443 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.6 -43.97 96.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 0.0 110.523 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -68.32 -37.13 80.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.829 -1.169 . . . . 0.0 111.105 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.65 -49.67 75.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 109.847 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -64.26 -38.65 91.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.082 -1.011 . . . . 0.0 108.607 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.86 -41.83 92.34 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 110.207 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -81.58 -16.62 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.572 -1.33 . . . . 0.0 109.66 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.64 -36.48 76.45 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.333 -0.855 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -75.89 -11.92 60.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.434 -0.791 . . . . 0.0 109.824 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.26 145.51 35.79 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.248 -0.908 . . . . 0.0 109.453 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.44 147.08 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.428 -0.795 . . . . 0.0 109.565 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 3.4 mttm -60.96 -43.12 90.19 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 111.06 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 86.4 Cg_exo -49.47 -38.85 44.76 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.994 1.796 . . . . 0.0 113.143 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.59 2.56 54.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 111.738 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -57.47 -42.17 82.07 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.937 -1.102 . . . . 0.0 109.332 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.106 . . . . 0.0 109.058 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.39 49.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 110.46 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.83 68.1 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.716 -1.24 . . . . 0.0 110.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.05 -30.06 67.23 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.067 -1.021 . . . . 0.0 112.94 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.431 HG21 ' H ' ' A' ' 166' ' ' ASP . 1.3 m -68.84 -98.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.11 -1.619 . . . . 0.0 109.851 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.431 ' H ' HG21 ' A' ' 165' ' ' VAL . 41.4 t0 -87.23 119.79 27.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.617 -1.302 . . . . 0.0 110.138 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 177.83 54.11 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -85.37 130.1 34.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -1.226 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -126.39 145.52 15.77 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 108.399 -1.881 . . . . 0.0 108.399 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.34 129.4 34.43 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.367 -1.078 . . . . 0.0 109.472 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.7 t -100.46 166.41 10.95 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -81.22 104.92 12.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.978 -1.076 . . . . 0.0 109.231 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -0.04 47.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.302 -0.874 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.904 -1.122 . . . . 0.0 109.62 -179.811 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.739 0.78 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.464 HD11 HG22 ' A' ' 77' ' ' ILE . 76.8 mt -60.38 140.54 18.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 O-C-N 120.886 -1.133 . . . . 0.0 110.255 -179.261 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -127.86 82.56 2.09 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 149.97 96.16 Favored Pre-proline 0 C--N 1.293 -1.85 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -176.67 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -69.48 149.98 69.36 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.893 2.395 . . . . 0.0 110.755 -178.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.5 m -60.49 144.97 50.08 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -178.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.12 114.89 22.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.664 -1.273 . . . . 0.0 109.565 -177.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.96 -92.61 0.15 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.44 141.3 54.07 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -149.4 86.62 1.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.908 -1.12 . . . . 0.0 111.467 -179.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -62.75 -35.95 81.48 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 176.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 11.7 p90 -119.93 113.71 20.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -83.41 111.37 18.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.573 -1.33 . . . . 0.0 109.158 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 43.94 1.85 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.466 -0.771 . . . . 0.0 109.463 -179.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -60.48 -40.51 91.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.932 -1.105 . . . . 0.0 109.556 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.02 88.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.051 -1.031 . . . . 0.0 108.608 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -52.23 -57.3 10.12 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.229 -0.919 . . . . 0.0 109.606 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.89 -34.93 74.2 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.533 -0.729 . . . . 0.0 110.302 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -60.49 -41.91 95.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.927 -1.108 . . . . 0.0 108.481 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.18 -40.02 88.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.472 -0.767 . . . . 0.0 108.939 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.5 t-105 -61.14 -48.24 82.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.97 -1.082 . . . . 0.0 109.454 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 60.7 t0 -58.23 -36.13 72.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.218 -0.927 . . . . 0.0 109.193 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -83.74 -3.36 57.74 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.077 -1.014 . . . . 0.0 110.187 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.52 154.22 42.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.142 -0.974 . . . . 0.0 110.02 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.1 p -70.82 160.06 33.44 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 102' ' ' SER . 40.3 p-10 -60.97 -39.83 91.08 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.121 -0.987 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 23.1 t -60.01 -39.8 87.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.961 -1.087 . . . . 0.0 110.269 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -39.94 95.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.439 -0.788 . . . . 0.0 109.0 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 91.8 mtt180 -65.6 -40.19 92.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.291 -179.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.86 -40.07 83.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.899 -1.126 . . . . 0.0 110.213 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -40.57 94.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.12 -0.988 . . . . 0.0 108.574 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.01 88.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.88 . . . . 0.0 109.685 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.83 -40.05 91.33 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.457 -0.777 . . . . 0.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' HB2' ' HZ3' ' A' ' 109' ' ' LYS . 4.2 ttmp? -67.95 -39.91 83.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.536 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -81.02 -9.48 59.83 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.036 -1.04 . . . . 0.0 111.677 -177.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 6.3 tp -75.4 -48.21 4.15 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 120.333 -1.479 . . . . 0.0 111.819 -178.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.5 Cg_endo -66.84 -27.84 43.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 CA-C-N 121.108 1.431 . . . . 0.0 112.392 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.05 -42.15 57.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.766 -1.209 . . . . 0.0 110.167 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.48 -42.5 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.074 -1.016 . . . . 0.0 109.051 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.41 -40.1 92.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.043 -1.036 . . . . 0.0 108.859 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.71 94.72 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.225 -0.922 . . . . 0.0 109.832 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.46 85.64 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.492 -0.755 . . . . 0.0 108.972 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 6.9 t70 -57.56 -47.36 82.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.328 -0.857 . . . . 0.0 109.646 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.66 -40.3 96.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.047 -1.033 . . . . 0.0 110.22 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.41 -40.11 81.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.983 -1.073 . . . . 0.0 109.655 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.5 -36.41 81.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.107 . . . . 0.0 109.704 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 94.7 m-20 -60.04 -39.87 87.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.053 -1.029 . . . . 0.0 109.81 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -65.8 -5.21 8.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.0 109.083 -179.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.82 66.48 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.111 -0.993 . . . . 0.0 111.009 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.26 149.26 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.895 -1.356 . . . . 0.0 108.841 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -49.51 133.21 20.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 0.0 109.92 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -57.81 -42.86 85.15 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.693 0.759 . . . . 0.0 109.405 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -59.32 -47.27 86.03 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.033 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.0 m -66.87 -40.91 87.98 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.801 -1.187 . . . . 0.0 109.31 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.75 -54.22 47.86 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -67.12 -39.97 86.75 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.153 -0.967 . . . . 0.0 109.6 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.22 86.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.697 -1.252 . . . . 0.0 109.377 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.3 m -65.12 -42.16 94.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.76 -42.19 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.105 -0.997 . . . . 0.0 109.479 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.64 -30.26 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.85 -1.156 . . . . 0.0 109.065 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.07 -46.87 57.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -73.42 -43.75 59.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.012 -1.287 . . . . 0.0 108.958 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -97.56 130.7 44.59 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.554 -0.716 . . . . 0.0 109.588 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.05 61.71 4.0 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.721 -1.237 . . . . 0.0 109.53 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.66 153.01 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 CA-C-O 121.93 0.871 . . . . 0.0 110.026 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 t -71.8 130.47 41.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.955 . . . . 0.0 109.998 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.11 88.99 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.373 -0.83 . . . . 0.0 109.723 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.5 t -65.8 -40.75 92.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.21 -0.932 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.3 m -65.53 -50.29 65.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 110.156 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.02 -42.53 94.55 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.571 -0.706 . . . . 0.0 109.999 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -60.13 -49.28 78.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.863 -1.148 . . . . 0.0 109.748 -179.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -61.33 -40.68 95.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.033 -1.042 . . . . 0.0 110.102 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -66.06 -39.12 89.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.408 -0.807 . . . . 0.0 110.589 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.99 -45.85 91.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -177.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -68.67 -40.05 80.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.163 -1.585 . . . . 0.0 109.351 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.26 -40.18 89.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.552 -0.718 . . . . 0.0 111.162 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.49 -11.32 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 120.475 -1.391 . . . . 0.0 109.93 -179.253 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.0 -39.66 86.56 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.353 -0.842 . . . . 0.0 110.168 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.68 -9.01 58.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.791 -1.193 . . . . 0.0 109.508 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -106.34 146.34 30.55 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.41 -0.806 . . . . 0.0 109.933 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.97 50.28 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 53.7 mttm -50.05 -52.48 52.56 Favored Pre-proline 0 N--CA 1.487 1.423 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.106 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 25.7 Cg_endo -61.84 -21.66 72.69 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.94 1.093 . . . . 0.0 111.915 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.97 -10.1 59.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.375 -0.828 . . . . 0.0 109.718 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -59.03 -39.95 83.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.675 . . . . 0.0 109.981 -178.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.004 -1.06 . . . . 0.0 110.652 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.55 -39.63 80.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.128 -0.982 . . . . 0.0 109.945 -179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.42 80.85 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 110.693 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.13 -38.7 82.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.064 -1.022 . . . . 0.0 112.06 -177.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 14.1 m -67.86 -18.61 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.461 -1.4 . . . . 0.0 110.611 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -88.48 106.86 18.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.966 -1.084 . . . . 0.0 109.401 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -97.58 168.58 24.03 Favored Glycine 0 N--CA 1.502 3.074 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -81.14 -70.7 0.51 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.04 -1.271 . . . . 0.0 109.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -178.55 -57.11 0.07 OUTLIER Glycine 0 N--CA 1.494 2.53 0 C-N-CA 119.293 -1.432 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 173' ' ' ARG . . . -81.34 -10.04 59.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.566 -0.961 . . . . 0.0 110.048 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 77.9 p -61.92 -40.07 94.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.96 -1.088 . . . . 0.0 109.608 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.98 -44.03 94.75 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.968 . . . . 0.0 109.533 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 170' ' ' ALA . 40.7 ttm180 -95.49 131.37 41.74 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.12 -0.988 . . . . 0.0 109.418 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.499 1.977 0 O-C-N 120.883 -1.135 . . . . 0.0 109.51 179.937 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.0 ptm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.49 140.0 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.901 -1.125 . . . . 0.0 109.36 178.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.66 130.05 7.25 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.234 -0.917 . . . . 0.0 109.456 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.627 ' CD ' ' H ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -61.0 145.84 88.65 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 118.144 -1.422 . . . . 0.0 107.59 179.376 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.455 ' O ' ' OG1' ' A' ' 81' ' ' THR . 27.6 Cg_endo -60.05 -30.03 90.58 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.091 1.861 . . . . 0.0 112.435 178.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 80' ' ' PRO . 97.7 m -170.0 144.53 2.73 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 121.091 -1.005 . . . . 0.0 111.181 -178.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mp -91.62 128.89 37.63 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 45.2 tp10 -125.14 -111.61 0.3 Allowed 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.208 -0.933 . . . . 0.0 110.419 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 141.17 55.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.505 -0.747 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 83' ' ' GLU . 81.2 m-70 -145.95 65.55 1.21 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.97 -40.24 88.4 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 178.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 1.3 p90 -99.34 -107.51 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.079 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 31.3 p-10 -160.91 83.19 0.66 Allowed 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.102 -0.999 . . . . 0.0 108.667 179.164 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.19 -39.89 88.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.712 -0.617 . . . . 0.0 109.877 -179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -60.01 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.054 -1.029 . . . . 0.0 110.134 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.85 87.32 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.0 -47.19 86.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.108 -0.995 . . . . 0.0 108.594 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -64.04 -34.35 77.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.102 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -41.48 92.29 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.733 -1.229 . . . . 0.0 109.046 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -40.46 94.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.963 . . . . 0.0 108.632 179.28 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.0 t-105 -61.36 -49.34 77.34 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.86 -39.85 82.57 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.961 -1.087 . . . . 0.0 109.347 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.96 -3.04 59.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.066 -1.021 . . . . 0.0 109.117 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.01 154.08 42.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.143 -0.973 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 t -72.34 159.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.888 -1.132 . . . . 0.0 109.808 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.96 -40.09 87.83 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.775 -0.578 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -58.09 -40.75 81.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.178 -0.951 . . . . 0.0 109.153 -179.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -63.71 -41.99 98.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -69.43 -41.05 76.84 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.643 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -60.0 -49.74 76.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 0.0 109.137 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.03 -45.59 94.17 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.589 0.709 . . . . 0.0 109.511 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.02 98.11 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.673 -1.267 . . . . 0.0 109.97 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.27 -40.03 94.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.66 -39.88 92.93 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.814 -1.179 . . . . 0.0 110.553 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -82.65 -6.17 59.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.115 -0.991 . . . . 0.0 111.101 -178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.1 tp -74.63 -46.13 5.48 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.385 -1.447 . . . . 0.0 112.249 -178.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 73.9 Cg_endo -70.99 -21.41 27.8 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 CA-C-N 120.852 1.34 . . . . 0.0 112.047 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.09 53.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.83 -40.94 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.252 -0.905 . . . . 0.0 109.65 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.65 -40.56 80.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.47 -0.769 . . . . 0.0 110.4 -178.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.65 90.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.019 -1.051 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 35.8 t0 -59.89 -47.47 85.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 -179.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -61.13 -40.13 92.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.907 . . . . 0.0 109.701 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.1 mtt -61.24 -40.05 92.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.381 -0.825 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.46 -39.62 92.23 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.02 -40.1 92.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.938 . . . . 0.0 109.834 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.46 1.52 18.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.13 40.31 50.79 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 120.154 -1.022 . . . . 0.0 111.699 178.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.6 mm -79.95 141.68 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.179 -1.189 . . . . 0.0 109.096 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 t -56.26 139.67 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.738 -1.226 . . . . 0.0 108.673 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -59.75 -44.36 93.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.738 -1.226 . . . . 0.0 109.682 -178.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -59.02 -44.36 91.71 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.716 -1.24 . . . . 0.0 109.216 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.3 m -69.87 -41.53 74.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.964 -1.085 . . . . 0.0 109.604 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.96 71.46 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.376 -0.827 . . . . 0.0 110.559 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.71 -39.95 76.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.16 -0.963 . . . . 0.0 109.308 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.72 97.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.938 -1.101 . . . . 0.0 109.714 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.1 m -60.6 -43.75 97.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.023 -1.048 . . . . 0.0 109.142 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.78 -41.67 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.064 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.23 -29.12 68.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.001 -1.062 . . . . 0.0 109.849 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.89 -49.5 22.62 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -72.12 -40.35 68.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.813 -1.404 . . . . 0.0 109.146 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.4 m-85 -99.26 134.58 41.91 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.392 -0.818 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -83.8 61.58 6.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.009 -1.057 . . . . 0.0 109.516 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.41 157.03 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-O 121.816 0.817 . . . . 0.0 110.775 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.6 t -72.0 130.14 40.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.13 88.82 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.26 -0.9 . . . . 0.0 109.824 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.3 m -60.61 -40.08 90.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 110.01 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.6 m -63.46 -47.65 80.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 110.327 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.09 -40.57 90.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.441 0.638 . . . . 0.0 109.855 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -59.58 -48.03 83.24 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 109.696 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.5 -43.94 96.49 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.118 -0.989 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.63 -37.64 87.14 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.547 -0.721 . . . . 0.0 110.14 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.92 -47.1 87.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.341 -0.849 . . . . 0.0 110.172 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -67.83 -32.35 72.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.942 -1.099 . . . . 0.0 109.226 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.03 -40.02 87.88 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.0 110.52 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.26 -13.03 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.926 -1.108 . . . . 0.0 111.328 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -59.31 -38.27 79.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.743 -1.223 . . . . 0.0 109.648 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -76.09 -3.15 34.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -114.03 144.04 43.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.225 -0.922 . . . . 0.0 109.045 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.86 147.27 29.07 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.3 mptt -59.55 -39.97 75.89 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 120.813 -1.179 . . . . 0.0 112.018 -177.363 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 35.6 Cg_exo -57.42 -38.88 92.97 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.736 1.624 . . . . 0.0 113.102 -179.811 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 8.0 p-10 -88.99 5.53 43.83 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.79 -1.194 . . . . 0.0 110.378 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -57.92 -40.0 79.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.704 -1.248 . . . . 0.0 108.983 178.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.87 82.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 108.792 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.44 57.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.305 -0.872 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.69 -23.85 66.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.275 -0.891 . . . . 0.0 110.918 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.72 -28.25 65.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.647 -1.283 . . . . 0.0 110.989 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 166' ' ' ASP . 1.2 m -70.06 -39.13 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.815 -1.178 . . . . 0.0 109.466 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.408 ' N ' ' CG2' ' A' ' 165' ' ' VAL . 11.5 t0 -90.75 128.27 36.62 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -148.95 89.16 0.14 Allowed Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -83.85 146.04 28.31 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.277 -1.131 . . . . 0.0 108.741 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.75 -15.74 80.25 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.69 86.54 5.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.123 -1.222 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 68.5 m -63.78 -43.43 96.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.171 -0.955 . . . . 0.0 109.369 179.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -158.49 125.67 4.93 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.423 -0.798 . . . . 0.0 108.899 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -93.35 -15.93 25.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.931 -1.106 . . . . 0.0 110.448 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.428 ' OD1' ' OXT' ' A' ' 174' ' ' ASN . 35.8 p-10 . . . . . 0 N--CA 1.504 2.247 0 O-C-N 120.868 -1.145 . . . . 0.0 109.608 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.478 ' SD ' ' NH1' ' A' ' 104' ' ' ARG . 63.2 mtt . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.7 tt -61.18 140.05 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.711 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.57 137.2 42.2 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.583 -1.323 . . . . 0.0 109.347 177.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.567 ' H ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -60.06 149.96 72.29 Favored Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.651 178.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.73 149.06 85.25 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.141 1.227 . . . . 0.0 110.777 175.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 m -60.21 139.61 57.46 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.479 -1.388 . . . . 0.0 108.238 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.0 mt -97.31 111.96 23.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.854 -1.154 . . . . 0.0 109.722 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -176.0 -29.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.08 -37.06 10.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.167 -0.958 . . . . 0.0 112.57 -176.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.461 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -59.45 141.44 54.69 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.694 -1.254 . . . . 0.0 109.975 -178.106 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 23.9 t0 -103.39 -5.04 23.32 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 89' ' ' ARG . 28.4 p90 -100.63 143.25 31.02 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 14.3 p-10 -61.54 79.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.953 0.882 . . . . 0.0 108.746 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -62.23 -14.3 36.74 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 111.276 -179.349 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -59.8 -39.97 86.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.562 -1.336 . . . . 0.0 110.014 -178.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.5 96.1 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.833 -1.167 . . . . 0.0 109.424 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.41 -51.28 66.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.764 -0.585 . . . . 0.0 111.319 -178.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -67.35 -25.74 66.14 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.046 -1.034 . . . . 0.0 109.722 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.3 m -59.85 -41.57 91.71 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.656 -1.278 . . . . 0.0 108.646 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -61.22 -40.79 95.32 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 4.5 t-105 -60.27 -49.23 78.42 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 58.9 t0 -58.94 -38.04 78.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 109.202 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -82.57 -9.93 59.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.48 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.21 150.04 46.87 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.271 -0.893 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.62 161.39 31.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.914 -1.116 . . . . 0.0 109.552 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.558 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 6.2 m-20 -60.15 -39.88 87.93 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.597 -0.689 . . . . 0.0 110.718 -178.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.73 -40.01 86.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.845 -1.159 . . . . 0.0 109.561 -178.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 21.0 mp0 -66.75 -40.39 88.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.852 -1.155 . . . . 0.0 109.488 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.558 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 86.8 mtm180 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.604 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -62.57 -42.17 99.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.349 -0.844 . . . . 0.0 110.354 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.96 -42.75 98.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.004 -1.06 . . . . 0.0 109.288 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.062 -1.024 . . . . 0.0 109.491 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -40.66 91.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.858 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -67.64 -40.07 84.62 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.574 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 65.8 m95 -80.56 -10.15 59.75 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.142 -0.974 . . . . 0.0 112.317 -178.226 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.447 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 32.7 tp -75.3 -47.28 4.44 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.371 -1.455 . . . . 0.0 111.497 -178.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 53.8 Cg_endo -65.48 -21.51 60.2 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 CA-C-N 121.019 1.4 . . . . 0.0 112.41 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.9 32.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 110.441 -179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.57 -45.84 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.489 -179.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.97 -40.05 90.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.98 -1.075 . . . . 0.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.878 -1.138 . . . . 0.0 108.914 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.28 89.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.521 -0.737 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 49.1 t0 -59.2 -39.16 81.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.987 . . . . 0.0 109.628 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.041 -1.037 . . . . 0.0 109.878 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.8 mmt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.754 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.15 -33.04 73.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -59.99 -39.7 86.64 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.923 . . . . 0.0 110.66 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.15 4.18 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.871 -1.143 . . . . 0.0 110.041 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.64 28.47 70.9 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.784 178.731 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.28 157.24 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.981 -1.305 . . . . 0.0 108.749 179.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -60.03 140.3 56.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.89 -1.131 . . . . 0.0 109.706 -179.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -59.81 -41.25 90.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.843 -1.16 . . . . 0.0 110.299 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -60.11 -46.73 88.62 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.527 -178.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.2 m -67.59 -39.93 84.8 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.75 41.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.509 -0.744 . . . . 0.0 110.955 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.136 -0.978 . . . . 0.0 109.618 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.12 93.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.554 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.2 m -61.84 -45.7 92.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.102 -0.999 . . . . 0.0 108.975 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.04 -47.04 80.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.65 -31.1 72.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.322 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.76 -47.0 42.65 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -73.94 -43.82 57.01 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.022 -1.281 . . . . 0.0 109.393 179.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.448 ' O ' ' O ' ' A' ' 135' ' ' ALA . 87.0 m-85 -96.37 134.54 39.39 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.21 -0.932 . . . . 0.0 109.415 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -83.37 65.81 8.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.42 -0.8 . . . . 0.0 109.1 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.27 157.91 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.495 -0.753 . . . . 0.0 109.668 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.1 t -72.24 129.13 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.486 -0.759 . . . . 0.0 110.042 -179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.51 86.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.209 -0.932 . . . . 0.0 110.03 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 t -63.99 -40.68 96.92 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.5 m -61.97 -50.09 73.5 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.237 -0.914 . . . . 0.0 109.606 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.21 -41.88 93.98 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.096 -1.003 . . . . 0.0 109.745 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.06 -45.61 92.3 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.923 -1.111 . . . . 0.0 110.6 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 46.8 t0 -60.03 -47.91 83.89 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.884 -1.135 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.574 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 49.6 mtmt -69.51 -30.42 68.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.491 -0.756 . . . . 0.0 110.855 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -58.75 -49.92 75.84 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.693 -178.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -69.94 -33.79 72.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.828 -1.17 . . . . 0.0 110.428 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.28 -39.78 88.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.947 -1.096 . . . . 0.0 111.666 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.14 -10.65 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.605 -1.309 . . . . 0.0 112.136 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.2 -38.6 77.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.589 -1.32 . . . . 0.0 110.398 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -75.07 -5.81 46.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.818 -1.176 . . . . 0.0 109.747 -179.029 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.46 145.56 39.99 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.479 -0.763 . . . . 0.0 109.901 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.38 140.05 58.09 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.739 0.781 . . . . 0.0 110.817 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 40.0 mttp -51.41 -49.98 79.05 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.622 -0.674 . . . . 0.0 111.318 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 12.1 Cg_endo -54.55 -30.49 65.26 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.39 1.394 . . . . 0.0 112.71 -179.362 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -88.54 -0.03 56.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 0.0 109.97 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -56.53 -39.99 74.31 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.914 -1.116 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.87 94.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.6 -1.312 . . . . 0.0 109.683 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.67 60.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.352 -0.842 . . . . 0.0 109.747 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.33 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 111.348 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.38 -21.4 62.87 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.841 -1.162 . . . . 0.0 111.429 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -40.33 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 120.678 -1.264 . . . . 0.0 109.677 -178.607 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.04 121.44 34.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.13 -0.981 . . . . 0.0 109.564 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.28 -145.36 1.68 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.403 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 99.2 mtt180 -85.04 118.01 24.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.991 -1.299 . . . . 0.0 109.958 -179.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.78 103.17 0.18 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.5 156.1 29.46 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.447 -1.031 . . . . 0.0 109.452 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 28.1 t -100.66 117.97 35.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.095 -1.003 . . . . 0.0 109.13 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.609 HH11 ' CG ' ' A' ' 172' ' ' ARG . 0.0 OUTLIER -155.54 155.26 33.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.551 -0.718 . . . . 0.0 109.165 179.69 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -145.67 -16.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.028 -1.045 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.502 2.16 0 O-C-N 121.105 -0.997 . . . . 0.0 109.942 179.977 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.5 mmt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 ' H ' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -60.07 140.88 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.274 -0.891 . . . . 0.0 108.721 179.634 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.92 107.37 12.65 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -60.56 146.01 86.2 Favored Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 118.162 -1.415 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -69.95 149.87 66.25 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.201 1.267 . . . . 0.0 110.958 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.8 m -59.99 140.0 57.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.956 -1.715 . . . . 0.0 108.23 178.315 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.83 124.36 46.37 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.702 -0.624 . . . . 0.0 109.508 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -170.27 -53.66 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.282 -0.886 . . . . 0.0 109.227 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.8 103.82 15.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.813 . . . . 0.0 110.037 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -175.43 128.28 0.26 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.148 -0.97 . . . . 0.0 108.974 178.735 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -86.47 -4.05 59.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.074 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 13.0 p90 -117.96 155.85 29.52 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -73.35 87.87 1.53 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.891 -1.13 . . . . 0.0 109.619 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.711 HH12 ' HE1' ' A' ' 93' ' ' TRP . 0.4 OUTLIER -60.46 -39.84 89.05 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.583 0.706 . . . . 0.0 109.69 179.559 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' O ' ' OG ' ' A' ' 94' ' ' SER . 15.0 pt-20 -59.64 -34.75 73.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.141 -0.974 . . . . 0.0 109.882 -179.28 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.34 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 110.346 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.58 -52.36 64.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.212 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.711 ' HE1' HH12 ' A' ' 89' ' ' ARG . 96.3 m95 -69.94 -29.13 66.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.273 -0.892 . . . . 0.0 110.295 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 69.8 m -59.85 -41.12 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.009 -1.057 . . . . 0.0 109.016 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -63.44 -40.07 96.17 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.9 t-105 -61.61 -47.74 84.07 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.12 -39.59 82.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -80.86 -8.13 59.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.322 -0.861 . . . . 0.0 109.404 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.83 44.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.383 -0.823 . . . . 0.0 109.574 -179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -72.21 162.36 29.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.0 110.215 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . 58.2 t0 -60.05 -39.82 87.3 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.876 -0.515 . . . . 0.0 109.796 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.808 -1.182 . . . . 0.0 109.821 -179.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.13 -41.78 85.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.092 -1.005 . . . . 0.0 110.085 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.16 -40.01 78.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.914 -1.116 . . . . 0.0 109.089 179.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.07 -40.22 97.03 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.463 -0.773 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.96 -50.04 75.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.867 -1.146 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.84 86.24 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.802 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.79 -40.08 91.3 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.944 -1.098 . . . . 0.0 109.761 -179.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -65.01 -39.9 94.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.73 . . . . 0.0 110.549 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -81.21 -10.44 59.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.259 -0.901 . . . . 0.0 110.806 -179.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 50.7 tp -70.92 -47.9 14.81 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.516 -1.365 . . . . 0.0 111.981 -177.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 38.5 Cg_endo -65.08 -25.06 58.83 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 CA-C-N 120.857 1.342 . . . . 0.0 112.211 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.25 52.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.824 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.9 -40.94 79.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.303 -0.873 . . . . 0.0 109.456 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -69.24 -41.81 76.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.992 -1.068 . . . . 0.0 109.842 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.745 -1.222 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.86 86.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.058 -1.026 . . . . 0.0 109.792 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.97 -43.53 95.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.215 -0.928 . . . . 0.0 109.74 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -41.53 96.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.19 -41.29 98.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.773 -1.204 . . . . 0.0 109.569 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.06 -36.61 84.57 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.06 -40.41 89.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.674 -0.641 . . . . 0.0 110.142 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -72.36 -0.61 12.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.25 -0.906 . . . . 0.0 109.047 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.0 65.28 Favored Glycine 0 N--CA 1.496 2.641 0 O-C-N 120.951 -1.093 . . . . 0.0 111.837 177.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.428 HG22 HD11 ' A' ' 125' ' ' ILE . 94.8 mt -74.15 144.26 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.973 -1.31 . . . . 0.0 108.167 178.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.1 t -56.53 139.97 47.81 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.6 p -58.87 -41.25 86.61 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.07 -1.019 . . . . 0.0 110.289 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.52 -44.59 93.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.947 -1.096 . . . . 0.0 108.875 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -69.93 -42.31 73.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.88 -1.138 . . . . 0.0 109.83 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.04 75.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.185 -0.947 . . . . 0.0 110.379 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -66.57 -39.43 88.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.88 -1.137 . . . . 0.0 109.181 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.66 80.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.03 -1.044 . . . . 0.0 109.033 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -63.02 -44.07 96.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.947 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.6 -49.88 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.0 109.766 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.84 -28.56 69.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.432 -0.792 . . . . 0.0 109.179 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.53 -48.25 14.01 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.59 -42.3 71.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.332 -1.099 . . . . 0.0 109.62 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 135' ' ' ALA . 90.5 m-85 -99.9 138.78 36.5 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.268 -0.895 . . . . 0.0 109.287 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -84.14 63.69 7.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.239 -0.913 . . . . 0.0 109.139 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.13 159.87 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 CA-C-O 121.765 0.793 . . . . 0.0 109.679 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -75.46 127.81 33.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.416 -0.803 . . . . 0.0 109.031 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.62 90.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.032 -1.043 . . . . 0.0 109.532 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.1 m -62.01 -40.31 95.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.408 -0.808 . . . . 0.0 110.415 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.6 m -65.37 -46.06 81.64 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.982 -1.074 . . . . 0.0 109.45 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.09 -41.53 92.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 110.061 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -59.94 -49.06 79.16 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.185 -0.947 . . . . 0.0 110.278 -178.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.45 -43.86 96.42 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.846 -1.159 . . . . 0.0 111.208 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.79 -34.33 76.56 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.067 . . . . 0.0 110.963 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -60.13 -49.58 77.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.802 -1.186 . . . . 0.0 110.355 -178.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -67.91 -36.74 80.7 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.643 -1.286 . . . . 0.0 110.059 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.01 -40.33 88.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.222 -0.924 . . . . 0.0 111.506 -178.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 m -81.96 -7.72 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.996 -1.065 . . . . 0.0 110.252 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 153' ' ' GLN . 1.9 tm0? -58.86 -40.29 83.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.939 -1.1 . . . . 0.0 110.01 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.56 -3.38 46.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.888 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.48 141.08 38.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.261 -0.899 . . . . 0.0 109.65 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -59.32 144.98 44.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.263 -0.898 . . . . 0.0 108.703 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.9 mptt -59.04 -40.01 78.27 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.942 -1.099 . . . . 0.0 111.646 -177.366 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 33.7 Cg_exo -61.77 -35.76 77.56 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.814 1.676 . . . . 0.0 112.417 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.72 0.73 49.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.441 -0.787 . . . . 0.0 110.414 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 28.6 m0 -56.98 -39.98 75.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.988 -1.07 . . . . 0.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.9 84.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.047 -1.033 . . . . 0.0 109.422 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.19 60.87 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.866 -1.147 . . . . 0.0 109.771 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.137 -0.977 . . . . 0.0 110.546 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.91 -39.69 87.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.24 -0.913 . . . . 0.0 110.049 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.98 -40.12 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.08 -1.013 . . . . 0.0 109.065 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -85.97 134.9 33.84 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.078 -1.014 . . . . 0.0 109.685 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -83.49 -92.92 0.65 Allowed Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -90.21 134.6 34.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.865 -1.373 . . . . 0.0 109.681 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -84.95 1.06 89.1 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.74 2.69 18.87 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.219 -1.165 . . . . 0.0 109.963 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 17.7 t -60.16 -45.83 91.73 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.898 -1.126 . . . . 0.0 109.171 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -160.85 158.58 28.59 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.202 -0.936 . . . . 0.0 109.363 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -143.57 -59.71 0.41 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.395 -0.815 . . . . 0.0 109.021 179.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.895 -179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.625 ' N ' HH11 ' A' ' 79' ' ' ARG . 37.3 ttp . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.469 0.652 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.07 -34.22 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.398 -0.814 . . . . 0.0 110.574 -178.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.05 -21.94 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.552 -1.343 . . . . 0.0 112.795 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.625 HH11 ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -53.69 -40.1 78.05 Favored Pre-proline 0 C--O 1.204 -1.319 0 O-C-N 120.093 -1.629 . . . . 0.0 112.72 -179.55 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 46.6 Cg_exo -54.78 -39.61 88.8 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 O-C-N 119.584 -0.798 . . . . 0.0 110.293 -177.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -95.9 136.61 36.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.636 -1.29 . . . . 0.0 109.172 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.1 mt -151.9 108.49 3.47 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.538 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 83.4 tt0 -166.38 -52.82 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.8 -1.188 . . . . 0.0 110.245 -179.38 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.78 90.42 8.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.442 -0.786 . . . . 0.0 110.415 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.538 ' NE2' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -177.21 104.48 0.05 Allowed 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.109 -0.994 . . . . 0.0 109.872 178.725 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.42 -20.01 64.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.466 -1.396 . . . . 0.0 108.059 178.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 3.6 p90 -103.28 137.87 40.83 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 88' ' ' ASP . 13.2 p-10 -74.55 83.08 2.01 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.778 -1.201 . . . . 0.0 109.301 -179.13 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -64.24 -9.21 15.85 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.259 -0.901 . . . . 0.0 110.164 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.57 -39.08 70.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.98 90.85 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.44 -40.91 98.41 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -64.15 -35.1 79.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.743 -0.598 . . . . 0.0 109.435 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -59.89 -39.83 86.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.094 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.42 -40.14 89.96 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -61.94 -46.18 90.46 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.276 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.96 -40.49 89.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.864 -1.147 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -82.65 -7.07 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.971 -1.081 . . . . 0.0 109.016 -179.309 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 148.78 49.38 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.27 -0.894 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -69.78 158.23 35.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 102' ' ' SER . 31.7 p-10 -59.75 -37.08 78.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.824 . . . . 0.0 110.225 -179.147 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.443 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 92.8 p -59.77 -40.73 89.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.853 . . . . 0.0 109.267 -179.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.17 -43.52 94.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.784 -1.198 . . . . 0.0 108.654 178.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -70.06 -41.68 73.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.231 -0.918 . . . . 0.0 109.663 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.038 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.39 -49.82 76.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.0 109.355 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -60.65 -39.04 86.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.156 -0.965 . . . . 0.0 109.799 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.14 -40.0 96.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.098 -1.001 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -84.33 -6.73 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.246 -0.909 . . . . 0.0 111.412 -178.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.465 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.5 tp -73.21 -45.28 8.02 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 120.509 -1.37 . . . . 0.0 112.227 -178.495 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.8 Cg_endo -66.77 -30.4 41.19 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 CA-C-N 120.811 1.325 . . . . 0.0 112.435 -179.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -40.65 50.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.72 -1.238 . . . . 0.0 110.249 -179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.7 t -70.4 -44.63 77.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.142 -0.974 . . . . 0.0 109.348 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -63.0 -43.48 98.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 109.149 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.46 89.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.53 -0.732 . . . . 0.0 109.408 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.65 85.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -59.95 -45.79 91.51 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 109.988 -179.025 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.38 -42.43 95.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.883 -1.136 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.4 mtp -65.63 -40.27 92.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.47 -39.8 94.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.142 -0.974 . . . . 0.0 109.453 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 0.0 109.316 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.88 -9.56 3.09 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.474 -0.766 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.84 29.61 64.91 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.438 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.66 145.31 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -1.223 . . . . 0.0 108.347 178.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 m -53.01 137.81 32.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.115 -0.991 . . . . 0.0 108.698 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -58.29 -43.21 87.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.647 -0.658 . . . . 0.0 110.135 -178.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.86 -48.6 81.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.067 -1.021 . . . . 0.0 109.621 -179.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.9 m -66.29 -42.02 88.94 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.537 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.87 72.05 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.523 -0.735 . . . . 0.0 111.124 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -67.35 -39.09 85.74 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.94 -1.1 . . . . 0.0 109.602 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.19 74.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.332 -0.855 . . . . 0.0 109.163 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.7 m -61.19 -42.51 98.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.894 -1.129 . . . . 0.0 110.061 179.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.71 -45.44 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.284 -0.885 . . . . 0.0 109.663 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.77 -27.14 67.35 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.01 -45.68 40.28 Favored Glycine 0 N--CA 1.484 1.837 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -75.59 -44.37 43.44 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.279 -1.13 . . . . 0.0 109.027 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 135' ' ' ALA . 91.8 m-85 -97.46 139.99 32.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.34 -0.85 . . . . 0.0 110.074 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -85.08 63.39 8.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.916 -1.115 . . . . 0.0 109.494 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.38 157.69 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.338 -0.851 . . . . 0.0 109.953 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.0 t -73.07 131.6 42.3 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.393 -0.817 . . . . 0.0 109.629 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.39 89.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.9 t -65.08 -39.97 93.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.903 -1.123 . . . . 0.0 110.349 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.9 m -64.86 -48.68 73.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.081 -1.012 . . . . 0.0 110.713 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.89 -44.75 94.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.101 -0.999 . . . . 0.0 110.133 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -60.1 -48.82 80.14 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.771 -1.206 . . . . 0.0 109.976 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.03 -49.13 78.64 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.02 -1.05 . . . . 0.0 110.38 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.04 -31.44 71.97 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.231 -0.918 . . . . 0.0 110.668 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.36 -40.99 83.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.038 -1.039 . . . . 0.0 109.467 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.56 -35.18 70.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.204 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.26 -40.03 88.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 111.302 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.12 -12.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.078 -1.014 . . . . 0.0 109.381 -179.538 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.8 -37.58 79.56 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.859 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -76.35 -6.19 50.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 110.547 -179.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -109.94 149.58 29.72 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.097 -1.002 . . . . 0.0 109.948 -179.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 108.741 -179.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -50.1 -49.9 72.67 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.98 -1.075 . . . . 0.0 110.238 -179.059 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 50.0 Cg_exo -53.35 -34.13 69.32 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.108 1.872 . . . . 0.0 112.651 -179.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 9.5 t0 -87.4 1.07 54.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.359 -0.838 . . . . 0.0 110.146 -179.089 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -59.41 -40.35 86.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.893 -1.129 . . . . 0.0 109.135 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.29 -46.89 76.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.686 -1.258 . . . . 0.0 109.291 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.4 62.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 179.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 166' ' ' ASP . . . -60.13 -39.27 85.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.207 -0.933 . . . . 0.0 110.049 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.02 -39.79 94.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.941 -1.1 . . . . 0.0 109.713 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.48 -40.42 84.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.167 -0.958 . . . . 0.0 109.12 -179.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 167' ' ' GLY . 9.9 t70 -88.58 150.53 23.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.432 -0.793 . . . . 0.0 109.546 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 166' ' ' ASP . . . -156.81 -164.14 13.19 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -84.77 142.52 29.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.182 -1.187 . . . . 0.0 108.769 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.34 32.32 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.37 156.01 26.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.05 -1.265 . . . . 0.0 109.898 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 96.9 p -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.0 109.155 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' A' ' 172' ' ' ARG . 8.6 mmt-85 -69.94 160.13 32.44 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.247 -0.908 . . . . 0.0 109.835 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 34.6 ttm-85 -88.17 119.99 29.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.127 -0.983 . . . . 0.0 108.965 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.29 -179.394 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.5 mmm . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.93 141.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 120.784 -1.198 . . . . 0.0 108.937 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.01 144.41 52.26 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.957 -1.097 . . . . 0.0 108.885 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 16.9 mtt180 -56.04 -40.06 81.98 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.212 -0.93 . . . . 0.0 112.515 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' O ' ' OG1' ' A' ' 81' ' ' THR . 25.5 Cg_endo -69.25 150.0 70.78 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 120.626 1.259 . . . . 0.0 110.734 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 80' ' ' PRO . 12.0 m -168.56 80.54 0.15 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.326 -0.859 . . . . 0.0 108.683 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 tp -147.39 28.06 1.0 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.946 -1.096 . . . . 0.0 109.006 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.4 mp0 -110.86 -23.67 10.87 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.385 -0.822 . . . . 0.0 110.842 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.07 -80.06 0.33 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.754 -1.216 . . . . 0.0 110.75 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.86 ' H ' ' HD1' ' A' ' 85' ' ' HIS . 2.3 p-80 -47.39 122.1 4.41 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.281 0.563 . . . . 0.0 109.825 -178.524 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.2 -23.93 64.88 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 19.6 p90 -93.11 113.56 25.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.098 -1.001 . . . . 0.0 108.578 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 88' ' ' ASP . 35.0 p-10 -64.15 134.22 54.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.452 -0.78 . . . . 0.0 108.993 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.584 ' CG ' HH11 ' A' ' 89' ' ' ARG . 0.0 OUTLIER -144.73 77.54 1.54 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 122.16 0.981 . . . . 0.0 109.27 -179.418 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 50.2 mp0 -65.5 -40.11 92.66 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.68 -0.638 . . . . 0.0 109.607 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.73 89.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.337 -0.852 . . . . 0.0 110.037 -179.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.45 -55.05 27.35 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.471 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -69.47 -32.68 71.73 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.404 -0.81 . . . . 0.0 110.99 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -59.75 -39.95 86.48 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 108.363 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' ALA . 60.7 tttp -60.83 -42.14 97.15 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.3 t-105 -61.01 -50.08 74.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.516 -0.74 . . . . 0.0 109.412 178.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.83 -40.17 87.57 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.873 -1.142 . . . . 0.0 109.014 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.94 -0.81 57.19 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.543 -0.723 . . . . 0.0 110.245 -179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -67.23 158.57 31.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.245 -0.909 . . . . 0.0 109.148 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.7 t -70.03 153.42 43.23 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.4 p-10 -60.06 -37.2 79.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -0.959 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.7 p -60.16 -39.99 88.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.945 -1.097 . . . . 0.0 108.852 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.88 -40.05 95.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.009 -1.057 . . . . 0.0 109.031 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' NH1' ' HG3' ' A' ' 104' ' ' ARG . 14.1 mmm-85 -65.24 -41.78 93.99 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.7 -44.2 86.88 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.37 0.605 . . . . 0.0 109.711 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.4 -46.01 91.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.679 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.24 94.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.098 -1.001 . . . . 0.0 109.958 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.368 -0.832 . . . . 0.0 109.545 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.15 -40.2 90.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.214 -0.929 . . . . 0.0 111.418 -179.098 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -81.16 -8.8 59.83 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.132 -0.98 . . . . 0.0 111.333 -178.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.4 tp -74.95 -47.53 4.76 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 120.395 -1.441 . . . . 0.0 111.903 -178.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -70.29 -26.48 25.04 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 CA-C-N 121.077 1.42 . . . . 0.0 112.979 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.71 -41.4 53.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.693 -1.254 . . . . 0.0 109.841 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.45 -40.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 108.781 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -65.41 -40.81 93.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.205 -0.934 . . . . 0.0 109.711 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.89 95.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.34 -0.85 . . . . 0.0 109.932 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.44 90.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -58.39 -40.53 82.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.038 -1.039 . . . . 0.0 108.856 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 75.1 tt0 -61.73 -40.24 94.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.933 -1.104 . . . . 0.0 109.989 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.9 mtt -68.58 -40.01 80.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.864 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.73 -40.17 94.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.781 . . . . 0.0 110.961 -178.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 48.2 p30 -68.1 -16.79 64.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.23 -1.544 . . . . 0.0 109.454 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 7.9 tp-100 -81.55 -0.26 41.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.469 -0.769 . . . . 0.0 109.185 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.21 24.43 76.43 Favored Glycine 0 N--CA 1.494 2.509 0 O-C-N 120.935 -1.103 . . . . 0.0 110.972 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.5 mt -80.0 141.57 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.752 -1.44 . . . . 0.0 108.992 179.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.9 m -55.87 140.11 43.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.339 -0.851 . . . . 0.0 109.748 -178.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -58.1 -44.87 87.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.528 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.35 -46.7 85.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.872 -1.142 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 83.2 m -67.36 -40.37 85.76 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.439 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.81 -52.09 66.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.437 -0.789 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -69.6 -39.41 77.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.848 -1.157 . . . . 0.0 109.795 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.73 96.72 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.862 -1.149 . . . . 0.0 109.371 -179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -62.31 -45.3 93.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.503 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.3 t -67.82 -45.13 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.215 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.51 -33.29 73.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.191 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.61 -47.95 24.98 Favored Glycine 0 C--N 1.296 -1.674 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.03 -40.22 71.87 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.331 . . . . 0.0 109.443 179.516 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 135' ' ' ALA . 63.7 m-85 -100.17 137.95 37.91 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.062 -1.023 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.17 62.15 5.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.972 -1.08 . . . . 0.0 108.652 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.0 159.96 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -74.4 130.65 40.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 109.8 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.48 85.99 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.151 -0.968 . . . . 0.0 109.592 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.1 p -65.63 -40.03 92.09 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.566 -0.709 . . . . 0.0 110.588 -179.18 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 m -62.11 -48.52 79.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.906 -1.121 . . . . 0.0 109.404 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.9 -45.57 92.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.947 -1.096 . . . . 0.0 109.834 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -59.68 -51.75 68.44 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.384 -0.823 . . . . 0.0 110.687 -178.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 41.8 t0 -61.38 -40.41 94.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.015 -1.053 . . . . 0.0 109.766 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -67.2 -39.81 86.39 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.922 -0.486 . . . . 0.0 110.695 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.45 -48.69 79.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.862 -1.149 . . . . 0.0 109.53 -178.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -61.06 -39.87 91.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.858 -1.151 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.34 -40.2 93.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.034 -1.041 . . . . 0.0 110.638 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.67 -13.18 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 120.792 -1.193 . . . . 0.0 109.967 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.67 -39.6 85.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.959 -1.088 . . . . 0.0 109.93 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -73.68 -10.41 59.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.638 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -110.43 137.54 48.01 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.296 -0.878 . . . . 0.0 108.988 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.63 153.65 27.33 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.798 -179.311 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 67.5 mttt -51.16 -54.99 32.14 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.26 -0.9 . . . . 0.0 109.84 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 46.5 Cg_exo -30.64 -50.67 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 122.434 2.09 . . . . 0.0 114.938 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 36.8 p-10 -89.49 2.77 54.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.834 -1.166 . . . . 0.0 111.809 -177.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -58.27 -40.04 80.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.31 -1.494 . . . . 0.0 109.302 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.13 80.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.82 -40.05 66.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.472 -0.768 . . . . 0.0 109.871 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.534 ' O ' ' OD1' ' A' ' 166' ' ' ASP . . . -61.37 -34.97 76.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.529 -0.732 . . . . 0.0 111.029 -178.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.79 -39.87 87.94 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.518 -1.364 . . . . 0.0 111.548 -178.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 19.6 m -74.9 4.9 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.543 -1.348 . . . . 0.0 111.125 -178.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' A' ' 163' ' ' ALA . 28.1 p-10 -79.99 113.51 18.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.721 -1.237 . . . . 0.0 109.481 -179.069 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -176.48 175.52 47.55 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.9 ptt-85 -84.99 146.97 26.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.948 -1.324 . . . . 0.0 109.043 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -163.64 134.55 3.43 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.98 131.32 35.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -1.12 . . . . 0.0 109.344 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 66.3 m -145.53 -100.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 109.632 179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.424 ' NH1' ' HG2' ' A' ' 172' ' ' ARG . 6.3 tpt180 -59.87 -42.64 94.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.035 -1.041 . . . . 0.0 109.532 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 173' ' ' ARG . 39.6 mtt-85 -94.53 132.05 39.61 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.325 -0.859 . . . . 0.0 109.429 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 N--CA 1.494 1.761 0 O-C-N 121.098 -1.001 . . . . 0.0 109.487 179.912 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 77' ' ' ILE . 7.1 mm 50.08 -129.33 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.582 179.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.53 165.55 34.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.817 -1.177 . . . . 0.0 108.949 -178.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 3.0 mtt-85 -59.98 146.05 83.18 Favored Pre-proline 0 N--CA 1.5 2.038 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.453 178.707 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.29 -29.86 89.84 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.614 1.543 . . . . 0.0 113.224 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.444 ' HA ' HH11 ' A' ' 89' ' ' ARG . 69.7 m -60.42 139.71 57.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.951 -1.093 . . . . 0.0 109.205 -177.289 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.433 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 65.4 mt -147.17 138.56 24.01 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.76 5.92 23.13 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.583 -0.698 . . . . 0.0 110.569 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.52 85.26 2.34 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.654 -0.654 . . . . 0.0 111.081 -178.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.628 ' N ' ' HD1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -175.11 148.26 0.98 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.134 -0.978 . . . . 0.0 110.368 178.112 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -102.64 2.05 35.46 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.068 0.937 . . . . 0.0 108.503 178.657 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -114.2 145.3 41.88 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 27.8 p-10 -65.24 138.11 58.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.249 -0.907 . . . . 0.0 108.764 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 HH11 ' HA ' ' A' ' 81' ' ' THR . 80.6 mtm180 -61.21 -39.53 90.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.656 0.741 . . . . 0.0 111.066 -179.111 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.94 -39.43 85.51 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 111.472 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.56 -59.25 3.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.393 -1.442 . . . . 0.0 111.518 -178.621 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.03 -49.94 75.7 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.695 -1.253 . . . . 0.0 111.785 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -67.37 -31.24 71.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.724 -1.235 . . . . 0.0 110.453 -178.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.401 -1.437 . . . . 0.0 108.892 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.93 -40.51 93.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.499 -0.751 . . . . 0.0 109.118 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.1 t-105 -60.58 -50.01 75.25 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.548 0.689 . . . . 0.0 109.31 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -59.09 -39.73 83.07 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.309 -0.87 . . . . 0.0 108.898 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.78 -6.55 59.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.09 154.2 41.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 109.358 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 p -73.59 162.81 28.81 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.001 -1.062 . . . . 0.0 109.133 -179.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 94.8 m-20 -60.03 -39.88 87.41 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.551 -0.718 . . . . 0.0 109.679 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.3 p -60.07 -40.03 88.1 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.011 -1.055 . . . . 0.0 109.588 -179.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -62.38 -41.29 98.53 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.827 -1.171 . . . . 0.0 110.41 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 81.7 mtm180 -66.63 -40.12 88.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.664 -1.272 . . . . 0.0 109.479 -179.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -63.74 -39.95 95.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.495 -0.753 . . . . 0.0 110.175 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 tp -60.18 -46.43 89.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.832 -1.167 . . . . 0.0 108.198 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.53 93.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.784 -1.197 . . . . 0.0 108.976 178.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -61.87 -39.93 93.62 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.495 -0.882 . . . . 0.0 108.745 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -61.23 -38.34 86.31 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.728 -0.608 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -90.09 -0.95 57.86 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.153 -0.967 . . . . 0.0 113.204 -177.731 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 7.0 tp -74.91 -38.55 3.06 Favored Pre-proline 0 N--CA 1.501 2.115 0 O-C-N 119.538 -1.977 . . . . 0.0 110.811 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 37.7 Cg_exo -59.56 -30.73 93.12 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.076 1.851 . . . . 0.0 112.124 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.98 -49.96 18.2 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.169 -0.957 . . . . 0.0 108.793 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 28.8 t -69.85 -40.22 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.892 -1.13 . . . . 0.0 108.139 179.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -63.16 -48.11 79.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 108.968 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.4 73.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 110.041 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.24 85.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 109.258 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.7 -45.11 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.87 -40.31 92.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.469 -0.77 . . . . 0.0 109.529 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.0 mmm -60.69 -40.46 92.24 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.364 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.88 -38.76 89.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.096 -1.003 . . . . 0.0 109.729 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -37.54 80.67 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.495 -178.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.06 -6.17 16.15 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.34 31.28 68.71 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.356 -0.84 . . . . 0.0 111.18 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.0 141.92 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.838 -1.389 . . . . 0.0 108.804 178.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -50.74 134.7 24.68 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 109.271 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.455 ' H ' ' HG1' ' A' ' 127' ' ' THR . 2.3 p -59.07 -42.89 91.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.652 -0.655 . . . . 0.0 110.326 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.86 -44.86 91.13 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.346 -179.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.3 m -70.04 -44.84 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.856 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 0.0 110.567 -179.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.38 -40.19 89.56 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.929 -1.107 . . . . 0.0 109.211 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.78 98.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 0.0 108.642 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.4 m -62.73 -40.1 96.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.512 -0.743 . . . . 0.0 109.433 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.35 -46.26 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.905 . . . . 0.0 109.38 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.17 -33.92 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.666 -0.646 . . . . 0.0 109.519 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.12 -42.52 76.2 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -75.4 -45.32 39.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.236 . . . . 0.0 109.289 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.4 m-85 -101.34 133.9 45.24 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.504 -0.747 . . . . 0.0 109.23 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.31 64.33 6.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.819 -1.176 . . . . 0.0 109.453 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.15 158.55 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.431 ' HG ' ' HG1' ' A' ' 144' ' ' THR . 4.6 p -71.86 131.17 42.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.092 -1.005 . . . . 0.0 109.568 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.28 84.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.174 -0.954 . . . . 0.0 108.97 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -63.8 -39.89 95.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.585 -0.697 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.431 ' HG1' ' HG ' ' A' ' 141' ' ' SER . 23.3 m -63.22 -49.75 72.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.683 -1.261 . . . . 0.0 109.585 -179.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.64 -43.5 98.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.596 -0.69 . . . . 0.0 110.575 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.404 ' HG2' ' NH1' ' A' ' 146' ' ' ARG . 44.4 ttt-85 -59.86 -46.74 88.32 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.599 -178.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.12 -42.58 95.06 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.202 -0.936 . . . . 0.0 110.815 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.82 -35.2 74.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.081 -1.012 . . . . 0.0 110.287 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.77 -49.6 77.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.109 -177.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -65.46 -40.07 92.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.267 -0.896 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -40.74 90.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.001 -1.062 . . . . 0.0 111.299 -179.112 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.69 -10.74 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.642 -1.286 . . . . 0.0 110.009 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -59.74 -40.02 86.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.51 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -79.76 -6.52 57.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.641 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -104.43 143.91 32.37 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.22 -0.925 . . . . 0.0 109.845 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -56.98 141.62 44.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -55.82 -42.39 95.86 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 110.505 -178.382 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 25.1 Cg_exo -61.88 -31.68 84.96 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.447 1.432 . . . . 0.0 112.035 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -85.3 -2.07 57.66 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.303 -0.873 . . . . 0.0 110.369 -178.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 30.9 m0 -59.16 -39.9 83.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 0.0 109.367 -179.334 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.87 73.67 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.788 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.89 -40.3 40.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 109.845 179.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.69 78.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.528 -0.733 . . . . 0.0 110.392 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.9 -37.1 83.74 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.528 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.11 -46.75 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.955 -1.091 . . . . 0.0 109.349 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -99.92 120.89 40.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.559 -0.713 . . . . 0.0 109.848 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -110.85 -33.96 2.3 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -87.96 134.7 33.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.895 -1.356 . . . . 0.0 109.502 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -174.81 -23.49 0.02 OUTLIER Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.836 -1.306 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -81.53 136.81 35.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.277 -1.131 . . . . 0.0 110.356 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.9 m -73.88 129.33 37.67 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 108.771 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 172' ' ' ARG . 22.9 ttt-85 -79.63 -13.44 59.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.03 -1.044 . . . . 0.0 109.589 -179.463 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' A' ' 174' ' ' ASN . 65.6 ttt180 -90.34 -79.8 0.34 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.092 -1.005 . . . . 0.0 109.286 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 173' ' ' ARG . 95.8 m-20 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 120.895 -1.128 . . . . 0.0 109.394 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.3 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 140.04 18.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.801 -1.187 . . . . 0.0 109.742 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.98 -90.9 0.07 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.193 -0.942 . . . . 0.0 109.61 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.86 60.09 0.37 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.036 -1.04 . . . . 0.0 108.652 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -69.92 150.08 66.77 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.116 1.877 . . . . 0.0 110.912 -179.564 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.9 m -60.27 140.11 57.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.192 -0.943 . . . . 0.0 109.423 -179.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.0 mt -97.07 176.37 5.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.202 -0.936 . . . . 0.0 110.497 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 98.9 mt-10 -127.04 -97.15 0.41 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.603 -0.685 . . . . 0.0 112.331 -178.072 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -59.72 138.13 57.85 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.467 -0.771 . . . . 0.0 111.178 -177.557 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.576 ' ND1' ' O ' ' A' ' 84' ' ' ALA . 77.0 m-70 -154.33 78.11 1.08 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.678 -0.639 . . . . 0.0 110.804 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.561 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -107.32 -89.66 0.45 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.374 -0.828 . . . . 0.0 109.297 179.689 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.23 79.05 0.05 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.015 -1.053 . . . . 0.0 109.069 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -67.06 -26.87 66.96 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.13 -41.37 88.11 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.676 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' O ' ' OG ' ' A' ' 94' ' ' SER . . . -62.82 -41.93 99.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.814 -1.179 . . . . 0.0 108.213 179.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.03 -47.31 86.36 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -67.21 -31.51 71.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.493 -0.754 . . . . 0.0 109.839 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 91' ' ' ALA . 79.3 p -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.91 -1.118 . . . . 0.0 108.593 -179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -60.05 -42.05 93.63 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 9.2 t-105 -61.01 -52.65 64.1 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.674 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 51.1 t0 -59.83 -38.9 83.34 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.315 -0.865 . . . . 0.0 109.569 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -86.04 -1.94 57.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.42 -179.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.91 153.03 44.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.01 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.6 m -73.65 165.9 24.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.863 -1.148 . . . . 0.0 109.915 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.6 p-10 -59.94 -40.09 87.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.735 -0.603 . . . . 0.0 110.11 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -62.69 -41.02 98.89 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 109.382 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.18 -43.01 99.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.947 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.4 mtm-85 -68.6 -39.81 80.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.071 -1.018 . . . . 0.0 108.265 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -60.0 -41.22 91.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.407 -0.808 . . . . 0.0 109.106 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -50.02 75.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.094 -1.004 . . . . 0.0 109.838 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.505 -0.747 . . . . 0.0 109.403 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.97 -39.8 86.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.414 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.43 -39.59 92.27 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.541 -0.724 . . . . 0.0 111.611 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -88.54 -3.3 58.84 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.107 -0.996 . . . . 0.0 112.825 -177.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 5.7 tp -75.99 -38.26 2.41 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 120.065 -1.647 . . . . 0.0 111.841 -177.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.5 Cg_exo -65.45 -31.67 51.08 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.919 1.746 . . . . 0.0 111.897 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.07 65.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.048 -1.033 . . . . 0.0 110.361 -179.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.91 -46.47 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.739 -1.226 . . . . 0.0 108.974 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.5 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 109.101 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.63 99.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.375 -0.828 . . . . 0.0 109.496 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.35 95.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.524 -0.735 . . . . 0.0 109.818 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 37.4 t0 -60.0 -40.59 89.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.467 -0.771 . . . . 0.0 109.642 -179.402 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -60.62 -41.68 95.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 110.265 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.2 mmt -63.77 -40.04 95.73 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.49 -39.89 92.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.903 . . . . 0.0 110.701 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.09 -40.1 88.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.816 -1.178 . . . . 0.0 109.962 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.96 0.02 8.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.97 66.79 Favored Glycine 0 N--CA 1.5 2.902 0 O-C-N 121.211 -0.931 . . . . 0.0 111.575 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.63 146.99 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.085 -1.244 . . . . 0.0 109.64 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -55.3 137.97 46.44 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.029 -1.045 . . . . 0.0 109.653 -179.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 p -59.98 -43.63 94.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.567 -0.708 . . . . 0.0 110.648 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -59.91 -46.41 89.45 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.946 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.3 m -69.93 -40.27 75.63 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.338 -0.851 . . . . 0.0 109.617 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.392 -0.818 . . . . 0.0 110.447 -179.139 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -68.15 -39.96 82.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.037 . . . . 0.0 109.671 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.98 96.09 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -0.976 . . . . 0.0 108.979 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.3 m -60.99 -49.47 77.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 0.0 109.792 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.89 -48.5 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.03 -34.04 72.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.636 -0.665 . . . . 0.0 109.44 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.34 -51.14 18.44 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.26 -42.51 79.53 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.284 -1.127 . . . . 0.0 109.762 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.489 ' O ' ' O ' ' A' ' 135' ' ' ALA . 77.7 m-85 -94.5 141.77 28.2 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.128 . . . . 0.0 109.173 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.01 59.24 3.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.854 -1.154 . . . . 0.0 109.689 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.57 157.81 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.451 -0.781 . . . . 0.0 109.132 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.41 ' OG ' ' OG1' ' A' ' 144' ' ' THR . 66.6 p -76.33 136.07 39.56 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.561 -0.712 . . . . 0.0 109.503 -179.248 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.21 88.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.3 -0.875 . . . . 0.0 111.256 -179.119 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 t -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.096 -1.003 . . . . 0.0 111.354 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.41 ' OG1' ' OG ' ' A' ' 141' ' ' SER . 91.0 m -63.66 -50.35 69.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.904 -1.122 . . . . 0.0 111.081 -178.336 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.93 -44.93 94.06 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.384 -0.823 . . . . 0.0 109.887 -178.731 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -59.92 -44.05 94.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.145 -0.972 . . . . 0.0 110.475 -178.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.71 -40.54 92.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.554 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.24 -38.92 82.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.695 -0.628 . . . . 0.0 111.071 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -58.45 -43.98 89.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.218 -0.926 . . . . 0.0 110.404 -177.353 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -70.02 -38.94 76.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.78 -1.2 . . . . 0.0 109.824 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.16 -39.81 87.71 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.65 -11.33 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.819 -1.175 . . . . 0.0 109.817 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -58.15 -38.62 76.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.0 109.627 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.48 -5.89 53.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 110.33 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -110.81 150.34 29.27 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 179.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -68.13 152.98 44.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.48 -0.762 . . . . 0.0 109.839 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 0.1 OUTLIER -51.37 -49.9 79.41 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.991 -1.068 . . . . 0.0 111.544 -179.559 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -60.95 -24.94 80.56 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 CA-C-N 120.753 1.305 . . . . 0.0 112.957 -179.368 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.13 -6.74 58.95 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.955 -1.091 . . . . 0.0 110.205 -179.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.1 m0 -58.87 -40.01 83.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.9 82.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.067 -1.021 . . . . 0.0 109.587 -179.133 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.36 65.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -0.942 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.13 74.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.11 -18.65 63.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.963 . . . . 0.0 110.422 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.51 54.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.912 -1.118 . . . . 0.0 108.868 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -85.68 139.99 30.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.21 -0.931 . . . . 0.0 109.375 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -126.8 -160.94 10.73 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -80.09 131.33 35.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.101 -1.235 . . . . 0.0 108.888 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -169.87 -104.77 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.66 131.82 36.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -1.183 . . . . 0.0 110.068 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 10.3 m -83.65 167.55 17.14 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.236 -0.915 . . . . 0.0 109.701 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -61.26 140.95 57.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 109.388 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -90.28 -0.98 57.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 0.0 109.09 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.4 m120 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.3 179.337 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.6 tt -60.03 -30.17 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.83 -1.169 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.34 104.27 8.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.642 -1.287 . . . . 0.0 109.843 -179.367 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -51.67 -39.98 65.8 Favored Pre-proline 0 N--CA 1.499 2.001 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.515 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -69.92 150.21 66.92 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 CA-C-N 120.897 1.356 . . . . 0.0 113.61 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -69.93 149.95 47.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.557 0.694 . . . . 0.0 110.184 178.606 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -84.35 115.01 22.28 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -150.24 -40.24 0.13 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 109.686 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.99 101.17 13.5 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.745 -0.597 . . . . 0.0 110.178 -179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -177.5 106.8 0.06 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.259 -0.901 . . . . 0.0 109.415 178.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.44 -17.61 63.0 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 3.6 p90 -111.83 126.16 54.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.67 110.72 7.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.833 -1.167 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 89' ' ' ARG . 40.2 mtm-85 -79.28 -3.92 48.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.668 -0.645 . . . . 0.0 109.761 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.42 -40.28 74.44 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.75 96.89 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.1 tp -61.83 -49.47 76.18 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -67.96 -23.58 65.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.412 -0.805 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -59.74 -45.97 90.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.905 -1.122 . . . . 0.0 110.048 -178.564 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -39.31 93.85 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 8.6 t-105 -60.01 -48.47 81.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.514 -0.741 . . . . 0.0 109.399 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -59.75 -40.2 87.34 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -87.12 -2.07 58.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.743 . . . . 0.0 109.539 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.67 155.15 39.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 108.799 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 t -70.06 155.12 41.05 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.7 -39.89 90.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.373 -0.829 . . . . 0.0 110.0 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.03 -39.86 91.37 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.369 -0.832 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.79 -40.65 97.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.094 -1.004 . . . . 0.0 110.446 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -66.3 -39.95 89.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.0 109.222 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.93 92.25 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.581 -0.7 . . . . 0.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.99 -46.55 89.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.245 -0.909 . . . . 0.0 108.684 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.09 84.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.175 -0.953 . . . . 0.0 109.073 179.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.95 -40.89 90.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.289 -0.882 . . . . 0.0 110.36 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -66.18 -39.99 90.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.502 -0.749 . . . . 0.0 110.605 -178.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.8 m95 -81.44 -10.09 59.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.191 -0.943 . . . . 0.0 111.372 -178.444 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.2 tp -73.7 -46.95 7.12 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.369 -1.457 . . . . 0.0 111.807 -178.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.0 Cg_endo -67.19 -25.42 43.24 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 121.725 1.616 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.27 62.32 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.069 . . . . 0.0 109.131 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.3 -40.28 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.199 -0.938 . . . . 0.0 109.102 179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.0 -40.24 90.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.996 -1.065 . . . . 0.0 109.964 -179.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.7 89.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.32 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 46.3 t0 -59.2 -40.97 87.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.78 179.518 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.29 -44.39 95.41 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.326 -0.95 . . . . 0.0 108.818 179.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.02 -40.0 94.24 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.616 -0.678 . . . . 0.0 110.895 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.927 . . . . 0.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.59 -37.96 83.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.28 -0.888 . . . . 0.0 109.797 -179.285 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.5 -3.69 12.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.626 -0.671 . . . . 0.0 109.408 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.24 30.73 62.34 Favored Glycine 0 N--CA 1.499 2.86 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.111 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.51 147.17 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -1.105 . . . . 0.0 108.703 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.3 t -58.36 139.45 55.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.291 -178.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 p -56.51 -45.21 81.2 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 -179.15 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.91 -46.34 89.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.989 -1.069 . . . . 0.0 108.649 -179.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.4 m -67.27 -45.31 77.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 109.058 179.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.01 75.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.433 -0.792 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.71 -39.81 80.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.188 -0.945 . . . . 0.0 109.842 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.757 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.9 m -63.6 -46.45 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 109.143 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.52 -42.8 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.316 -0.865 . . . . 0.0 108.671 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.39 -29.41 70.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 178.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.61 -53.45 9.92 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.64 -1.784 . . . . 0.0 108.64 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -67.84 -40.95 83.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' ' O ' ' A' ' 135' ' ' ALA . 85.7 m-85 -99.5 133.57 43.63 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.927 -1.108 . . . . 0.0 109.367 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -81.1 61.25 4.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 108.835 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -130.18 159.64 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.217 -0.927 . . . . 0.0 109.83 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -73.25 129.48 38.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.99 85.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.017 -1.052 . . . . 0.0 109.114 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.3 m -63.41 -40.17 96.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 110.991 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.4 m -64.76 -50.69 65.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 -179.303 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.22 -40.18 89.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.418 -0.801 . . . . 0.0 110.543 -179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -60.51 -48.71 80.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 110.199 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 50.3 t0 -60.64 -45.72 93.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.0 110.271 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.414 -0.804 . . . . 0.0 109.792 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.9 -43.92 94.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 0.0 110.033 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.78 -36.88 76.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.646 -1.284 . . . . 0.0 108.631 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.43 -40.35 90.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 110.781 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.02 -15.02 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 110.009 -179.038 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.07 -39.17 81.3 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.477 -0.764 . . . . 0.0 110.288 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -77.35 -9.53 58.9 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.943 -178.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -111.88 144.47 41.14 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.411 -0.805 . . . . 0.0 110.848 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -59.87 144.87 47.63 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.906 0.86 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 33.3 mttp -52.09 -50.09 80.76 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.472 -0.768 . . . . 0.0 112.598 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 9.6 Cg_endo -51.88 -30.48 38.99 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.407 1.405 . . . . 0.0 112.825 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 4.5 p30 -89.35 -1.07 57.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.228 -0.92 . . . . 0.0 109.699 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -58.79 -39.75 82.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.106 -0.996 . . . . 0.0 109.613 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.66 92.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.837 -1.164 . . . . 0.0 108.002 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.4 75.59 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.654 -0.654 . . . . 0.0 109.27 179.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.63 87.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.271 -179.387 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 32.2 mt -74.55 -2.36 25.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.028 -1.045 . . . . 0.0 110.702 -178.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.14 -38.4 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.721 -1.237 . . . . 0.0 109.187 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -84.03 160.15 21.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.23 -0.919 . . . . 0.0 109.287 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -158.81 109.98 0.42 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -86.67 129.84 34.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.611 -0.935 . . . . 0.0 108.942 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -83.33 -147.09 7.12 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.04 158.67 33.88 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.173 -1.192 . . . . 0.0 109.892 -179.602 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 12.9 t -61.52 118.88 7.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.938 . . . . 0.0 109.386 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -66.64 -38.76 87.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.731 -0.605 . . . . 0.0 109.742 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -88.0 127.7 35.39 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.013 -1.054 . . . . 0.0 109.853 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 26.1 m120 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.408 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.0 tp . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -69.17 -30.45 68.67 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.413 -0.805 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -59.98 -40.24 88.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.011 -1.055 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.13 -40.41 94.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.199 -0.938 . . . . 0.0 108.709 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.588 ' NE1' ' NH1' ' A' ' 104' ' ' ARG . 5.2 t-105 -60.17 -49.72 76.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.45 -0.781 . . . . 0.0 108.928 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' C ' HH22 ' A' ' 104' ' ' ARG . 64.4 t0 -53.69 -33.2 54.62 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.196 -0.94 . . . . 0.0 109.961 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -87.32 -3.15 59.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.59 150.75 46.73 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.324 -0.86 . . . . 0.0 109.339 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 t -71.04 159.93 33.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.118 -0.989 . . . . 0.0 109.191 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.01 -39.1 84.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.547 -0.72 . . . . 0.0 109.927 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.8 t -60.66 -40.7 93.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.87 -39.93 91.04 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.1 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.588 ' NH1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 mtt-85 -60.54 -40.08 90.22 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.154 -0.966 . . . . 0.0 108.824 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.12 -41.87 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.549 -0.72 . . . . 0.0 110.177 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.21 -50.0 75.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.051 -1.031 . . . . 0.0 109.364 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.04 93.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 0.0 109.891 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.0 -39.67 86.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.462 -0.774 . . . . 0.0 109.612 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 114' ' ' VAL . 88.7 m95 -88.88 -4.16 58.55 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.889 -1.132 . . . . 0.0 113.711 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 8.0 tp -76.33 -38.41 2.29 Favored Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 119.561 -1.962 . . . . 0.0 111.525 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 11.9 Cg_exo -69.27 -31.55 22.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.55 -40.0 57.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 110.324 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 110' ' ' TRP . 31.4 t -67.07 -47.41 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.845 -1.16 . . . . 0.0 108.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.91 -40.17 94.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.111 -0.993 . . . . 0.0 109.612 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.39 92.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.684 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.17 90.1 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 110.196 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.52 -42.07 91.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.9 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 99.0 mt-10 -63.2 -39.99 96.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.512 -0.742 . . . . 0.0 109.408 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.7 mmm -62.4 -40.03 95.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.844 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.6 -39.55 94.67 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.22 -0.925 . . . . 0.0 111.235 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.6 p30 -65.17 -18.64 65.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.77 -1.206 . . . . 0.0 110.867 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.53 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 59.1 tt0 -81.15 -4.04 54.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 108.974 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.26 25.16 75.13 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.617 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.33 147.59 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.261 . . . . 0.0 108.571 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.9 p -56.46 141.53 42.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.097 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -59.36 -39.98 85.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.404 -0.81 . . . . 0.0 110.264 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -58.92 -47.73 83.97 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.16 -0.962 . . . . 0.0 109.235 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -69.01 -41.9 77.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.194 -0.942 . . . . 0.0 109.498 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.459 -0.776 . . . . 0.0 110.204 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -69.29 -40.12 77.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.152 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.39 97.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.794 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.7 m -62.35 -46.44 88.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.074 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.35 -45.88 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.941 -1.099 . . . . 0.0 108.632 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.35 -33.54 73.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.525 -0.734 . . . . 0.0 109.033 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.53 -49.11 26.29 Favored Glycine 0 C--N 1.295 -1.701 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.81 -40.28 69.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.177 -1.19 . . . . 0.0 110.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.9 m-85 -99.27 137.84 37.21 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.085 -1.009 . . . . 0.0 108.843 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -84.81 61.02 6.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.835 -1.165 . . . . 0.0 109.165 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.95 160.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.474 -0.766 . . . . 0.0 109.16 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.9 t -72.65 128.38 35.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.73 91.93 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.044 -1.035 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.9 m -62.01 -40.06 94.37 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.916 -1.115 . . . . 0.0 110.362 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 57.7 m -62.81 -49.12 76.21 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.231 -0.918 . . . . 0.0 110.358 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.55 -40.15 90.52 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.327 -0.858 . . . . 0.0 110.148 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.21 -49.19 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.953 -1.092 . . . . 0.0 109.655 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.51 -41.15 93.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.156 -0.965 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -68.28 -37.27 80.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -59.89 -47.39 85.97 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -69.78 -37.5 76.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.957 -1.09 . . . . 0.0 109.954 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.976 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.99 -10.95 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.45 -1.406 . . . . 0.0 109.956 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -38.67 83.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 109.553 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -75.89 -11.51 59.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 110.241 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.86 155.92 18.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.939 -1.101 . . . . 0.0 110.164 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -52.19 149.99 4.91 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.584 0.707 . . . . 0.0 109.134 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.9 ttpp -66.49 -40.7 35.45 Favored Pre-proline 0 C--N 1.299 -1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 111.992 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 156' ' ' ALA . 97.0 Cg_endo -80.13 -21.88 7.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.713 1.609 . . . . 0.0 113.952 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 35.9 p-10 -82.12 4.88 21.47 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.545 -1.347 . . . . 0.0 108.856 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 31.5 m0 -58.65 -40.75 84.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.97 89.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.337 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -73.36 -39.98 64.76 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.352 -0.843 . . . . 0.0 109.34 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.531 -0.73 . . . . 0.0 110.686 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.22 -9.18 58.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.879 -1.138 . . . . 0.0 109.6 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.3 p . . . . . 0 N--CA 1.488 1.461 0 O-C-N 120.989 -1.07 . . . . 0.0 108.935 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 tp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.645 0.736 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -68.66 -29.78 68.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.689 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.4 t -60.15 -40.67 90.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.372 -1.455 . . . . 0.0 109.14 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.3 t-105 -60.13 -43.37 95.73 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.283 -0.886 . . . . 0.0 109.617 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.15 -39.71 83.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -80.42 -6.79 58.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.931 . . . . 0.0 109.184 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.62 153.52 42.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.093 -1.004 . . . . 0.0 109.501 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.4 p -75.88 164.82 25.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 30.4 p-10 -60.05 -40.19 88.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 93.5 p -60.03 -39.58 86.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.0 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.64 -40.24 88.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.264 -0.898 . . . . 0.0 111.149 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.2 mtm180 -64.52 -41.39 96.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.56 -1.338 . . . . 0.0 110.99 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.53 -37.35 77.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.643 -1.285 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.18 -46.9 88.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.904 -1.122 . . . . 0.0 108.685 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.11 94.45 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.77 -38.19 84.43 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.37 -0.831 . . . . 0.0 109.236 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.37 -37.37 80.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.162 -0.961 . . . . 0.0 111.144 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -86.71 -7.93 57.86 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.929 -1.107 . . . . 0.0 113.222 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 26.0 tp -76.82 -36.21 1.58 Allowed Pre-proline 0 N--CA 1.506 2.371 0 O-C-N 119.502 -1.998 . . . . 0.0 112.463 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.3 Cg_exo -67.69 -32.71 29.74 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.62 2.213 . . . . 0.0 112.165 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.75 60.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -0.942 . . . . 0.0 109.717 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.78 -41.97 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.958 . . . . 0.0 108.854 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.35 -43.69 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.056 -1.027 . . . . 0.0 109.685 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.91 86.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 0.0 110.563 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.4 90.35 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.185 -0.947 . . . . 0.0 110.373 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.09 -41.48 92.56 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.928 -1.107 . . . . 0.0 109.378 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.8 -45.65 88.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.208 -0.932 . . . . 0.0 109.595 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.3 mtt -64.58 -40.14 94.99 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.949 -1.094 . . . . 0.0 110.012 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.67 -36.94 84.5 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.59 -0.694 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.1 -35.92 76.28 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.11 -0.994 . . . . 0.0 110.34 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.97 -1.33 9.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.131 -0.981 . . . . 0.0 108.79 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 36.06 55.43 Favored Glycine 0 N--CA 1.493 2.451 0 O-C-N 121.352 -0.842 . . . . 0.0 111.263 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.85 145.35 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -53.09 130.04 32.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.95 -1.094 . . . . 0.0 109.518 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -54.11 -44.59 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.437 -0.789 . . . . 0.0 110.48 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -59.81 -47.63 84.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 0.0 109.045 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.5 m -66.16 -44.81 83.03 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.49 69.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.434 -0.791 . . . . 0.0 110.414 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.84 -39.34 87.58 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.927 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.61 88.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 0.0 109.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -61.77 -40.28 94.63 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.053 -1.029 . . . . 0.0 110.128 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.06 -46.81 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.5 -31.22 72.32 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.315 -0.866 . . . . 0.0 108.712 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.83 -50.82 33.03 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.54 -44.09 45.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.972 . . . . 0.0 110.073 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.2 m-85 -93.7 139.26 31.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -83.93 63.13 7.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.921 -1.112 . . . . 0.0 109.508 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.13 156.97 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.2 m -74.41 131.61 41.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.059 -1.026 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.09 84.9 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.639 0.733 . . . . 0.0 109.051 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -67.47 -42.1 83.56 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.583 -0.698 . . . . 0.0 110.474 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.7 m -65.07 -47.5 77.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.441 -1.412 . . . . 0.0 109.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.5 -42.15 95.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.886 . . . . 0.0 109.382 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.04 -50.21 74.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.148 -0.97 . . . . 0.0 110.585 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -64.25 -43.03 96.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.225 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -61.99 -39.12 91.14 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.513 -0.742 . . . . 0.0 109.701 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -58.93 -47.07 86.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.834 -1.166 . . . . 0.0 110.368 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -60.54 -39.91 89.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.998 -1.064 . . . . 0.0 110.64 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.97 -40.5 93.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 111.178 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.48 -8.46 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.022 -1.049 . . . . 0.0 110.542 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.48 -38.66 81.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 0.0 109.929 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.93 -3.92 44.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.613 -0.68 . . . . 0.0 109.437 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.47 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 66.1 m-85 -110.6 142.68 42.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.608 -0.682 . . . . 0.0 110.275 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.534 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.57 147.98 25.42 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.569 -0.707 . . . . 0.0 109.991 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 33.5 mmtm -60.24 -39.8 71.58 Favored Pre-proline 0 N--CA 1.502 2.152 0 O-C-N 120.818 -1.176 . . . . 0.0 111.403 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 34.5 Cg_exo -59.8 -36.65 90.55 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.271 1.981 . . . . 0.0 112.993 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 6.3 p-10 -89.06 0.4 56.73 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.639 -1.288 . . . . 0.0 111.046 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.3 m0 -59.38 -40.13 85.56 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.668 -1.27 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.09 86.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.152 . . . . 0.0 109.614 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.591 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.08 -39.91 75.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.84 . . . . 0.0 109.591 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.96 88.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.987 -1.071 . . . . 0.0 110.409 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 98.6 mt -71.04 -1.79 13.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 110.452 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 162' ' ' ALA . 7.4 p . . . . . 0 N--CA 1.49 1.53 0 O-C-N 120.939 -1.1 . . . . 0.0 109.681 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.273 0.559 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.003 -1.061 . . . . 0.0 111.12 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -39.64 86.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.912 -1.117 . . . . 0.0 109.764 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.23 -40.36 93.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.7 -1.25 . . . . 0.0 109.365 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.5 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.29 -45.64 92.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.016 -1.053 . . . . 0.0 108.788 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 63.0 t0 -59.17 -39.78 83.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.439 -0.788 . . . . 0.0 109.496 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -85.5 -4.01 59.03 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.604 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.87 150.52 48.47 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.423 -0.798 . . . . 0.0 109.25 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.7 p -71.22 161.89 30.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.664 -1.272 . . . . 0.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.12 -40.09 88.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.954 -1.091 . . . . 0.0 110.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -59.01 -39.49 82.02 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.817 -1.177 . . . . 0.0 109.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.41 -40.36 93.29 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.059 -1.026 . . . . 0.0 109.784 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.502 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 94.5 mtt180 -67.73 -40.72 84.16 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.037 -1.039 . . . . 0.0 109.471 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.434 ' NH1' ' HG3' ' A' ' 105' ' ' ARG . 37.6 ttm-85 -63.42 -39.73 95.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.03 -43.26 95.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.326 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.61 98.26 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.941 -1.099 . . . . 0.0 109.81 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.345 -0.847 . . . . 0.0 109.268 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -67.39 -33.99 76.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.591 -0.693 . . . . 0.0 111.272 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.27 -10.47 52.3 Favored 'General case' 0 N--CA 1.516 2.852 0 O-C-N 120.645 -1.285 . . . . 0.0 113.551 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 10.1 tp -75.85 -38.64 2.59 Favored Pre-proline 0 N--CA 1.512 2.645 0 O-C-N 119.62 -1.925 . . . . 0.0 111.033 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 32.3 Cg_exo -59.14 -33.26 98.29 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.622 2.215 . . . . 0.0 112.199 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.15 -44.85 28.77 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.478 -1.389 . . . . 0.0 110.425 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.6 -42.83 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.743 -1.223 . . . . 0.0 109.043 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.28 -42.98 92.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.477 -0.764 . . . . 0.0 110.217 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.008 -1.057 . . . . 0.0 109.77 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.97 94.16 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.456 -0.778 . . . . 0.0 110.14 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 58.8 t0 -59.77 -41.51 91.24 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.109 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.56 -43.25 97.48 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.862 -1.149 . . . . 0.0 109.646 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.04 -39.83 91.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.625 -0.672 . . . . 0.0 110.62 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.43 -28.21 69.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.813 -1.179 . . . . 0.0 109.39 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.77 -27.71 68.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.983 -1.073 . . . . 0.0 109.176 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -80.22 -2.8 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.581 -0.7 . . . . 0.0 109.139 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.39 33.35 61.49 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.162 -1.018 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.97 139.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -1.034 . . . . 0.0 108.481 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.4 p -51.81 141.39 17.32 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.995 -1.066 . . . . 0.0 109.856 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -57.5 -43.26 84.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.133 -0.979 . . . . 0.0 111.091 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.95 -46.15 90.34 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.79 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -69.18 -41.24 77.46 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 120.884 -1.135 . . . . 0.0 109.241 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.55 69.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.557 -0.715 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -67.7 -39.58 84.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.222 . . . . 0.0 110.484 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.67 76.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.465 -1.397 . . . . 0.0 108.504 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.198 0.523 . . . . 0.0 110.811 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.17 -40.68 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.856 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.66 -24.53 64.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.07 -1.019 . . . . 0.0 109.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.65 -49.08 19.94 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -73.8 -41.71 61.98 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -1.101 . . . . 0.0 109.09 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.7 m-85 -98.38 133.24 43.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.517 -0.739 . . . . 0.0 109.051 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -80.47 62.2 4.48 Favored 'General case' 0 C--O 1.2 -1.524 0 O-C-N 120.893 -1.129 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.12 150.46 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.9 t -68.38 130.59 43.33 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.567 0.698 . . . . 0.0 110.038 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.86 91.72 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.152 -0.967 . . . . 0.0 110.717 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.0 m -63.27 -39.96 96.05 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.63 -0.669 . . . . 0.0 110.106 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.0 m -66.91 -49.84 64.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.491 -1.38 . . . . 0.0 110.905 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.67 -40.93 89.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.948 -1.095 . . . . 0.0 109.632 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -59.72 -49.88 76.03 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.379 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.31 -40.69 95.13 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.781 -1.2 . . . . 0.0 109.466 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.521 ' HZ1' ' CD2' ' A' ' 164' ' ' LEU . 8.4 mtpm? -69.77 -35.36 74.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 0.0 110.545 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.72 -47.58 85.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.839 -1.163 . . . . 0.0 110.391 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -70.44 -35.43 73.35 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.317 -0.864 . . . . 0.0 109.977 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.709 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.13 -9.08 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.55 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.18 -40.77 86.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.45 -10.43 59.46 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.955 -1.09 . . . . 0.0 110.155 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -102.46 142.03 34.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.182 -0.949 . . . . 0.0 109.093 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.36 145.96 49.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 14.3 mttm -52.92 -49.95 84.32 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 53.6 Cg_exo -49.65 -34.93 36.52 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.336 2.024 . . . . 0.0 113.075 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -88.13 -4.07 58.8 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -58.25 -39.66 79.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.657 -1.277 . . . . 0.0 109.933 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.05 72.84 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.873 -1.131 . . . . 0.0 109.248 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -72.96 -40.22 65.53 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.047 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.88 83.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.162 -0.961 . . . . 0.0 110.204 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LEU . . . . . 0.521 ' CD2' ' HZ1' ' A' ' 148' ' ' LYS . 80.4 mt -72.54 -0.98 14.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.534 -0.729 . . . . 0.0 109.988 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.5 p . . . . . 0 C--N 1.301 -1.527 0 O-C-N 120.876 -1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.321 0.581 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -64.42 -32.95 74.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -59.91 -39.33 85.05 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.805 -1.184 . . . . 0.0 107.923 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.178 -0.951 . . . . 0.0 108.91 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.455 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.6 t-105 -60.4 -49.32 78.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.006 -1.059 . . . . 0.0 109.529 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -58.18 -38.93 77.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.384 -0.823 . . . . 0.0 110.009 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -81.67 -3.38 53.4 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.92 -1.113 . . . . 0.0 109.317 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.47 154.32 42.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.49 -0.756 . . . . 0.0 109.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 p -73.22 160.26 32.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.271 -0.893 . . . . 0.0 109.915 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.26 -40.01 88.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.744 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.5 t -60.01 -40.01 87.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 110.079 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.02 -40.52 95.98 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.147 -0.971 . . . . 0.0 110.354 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -66.05 -39.97 90.55 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.319 -0.863 . . . . 0.0 109.622 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.3 -39.92 88.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 110.605 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.19 -50.28 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.084 -1.01 . . . . 0.0 109.117 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.27 96.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.0 109.797 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.367 0.603 . . . . 0.0 109.489 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.24 -39.35 86.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 111.298 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -85.82 -8.99 57.75 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.934 -1.104 . . . . 0.0 113.584 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 23.7 tp -74.76 -36.94 2.57 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 119.461 -2.025 . . . . 0.0 112.293 -177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.1 Cg_exo -64.03 -32.57 64.53 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.146 1.897 . . . . 0.0 112.388 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.61 53.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.38 -0.825 . . . . 0.0 110.485 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -44.58 79.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.121 -0.987 . . . . 0.0 110.199 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -65.17 -42.23 93.87 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.784 -1.197 . . . . 0.0 110.37 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.49 90.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.141 -0.974 . . . . 0.0 109.975 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.65 94.65 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -59.91 -44.16 94.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.738 . . . . 0.0 109.439 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.05 -40.77 94.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.115 -0.991 . . . . 0.0 109.252 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.31 -40.14 89.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.324 -0.86 . . . . 0.0 109.738 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.53 -30.71 70.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.618 -0.676 . . . . 0.0 109.705 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.52 -40.16 90.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -73.46 -3.06 25.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.87 -1.144 . . . . 0.0 108.573 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.81 41.41 42.02 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.234 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 79.7 mt -78.6 145.04 10.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.026 -1.279 . . . . 0.0 108.808 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -51.01 138.18 19.96 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.032 -1.042 . . . . 0.0 110.005 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 p -58.8 -46.0 88.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.572 -0.705 . . . . 0.0 110.466 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -60.03 -47.81 84.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.919 -1.113 . . . . 0.0 109.272 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.8 m -66.51 -43.81 84.26 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.335 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.65 80.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.332 -0.855 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.6 -40.08 80.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.646 -1.284 . . . . 0.0 109.168 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.76 92.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.124 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.7 m -62.55 -44.99 94.98 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.835 -1.165 . . . . 0.0 109.5 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.62 -42.96 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.238 -0.914 . . . . 0.0 109.207 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.37 -30.4 70.78 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.554 -1.341 . . . . 0.0 109.198 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.04 10.96 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.56 -41.75 83.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.693 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 135' ' ' ALA . 93.5 m-85 -101.86 132.75 47.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.282 -0.886 . . . . 0.0 109.36 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -81.93 66.63 7.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.746 -1.221 . . . . 0.0 108.907 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.07 155.31 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.788 -0.57 . . . . 0.0 109.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t -70.34 130.0 40.8 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.187 -0.946 . . . . 0.0 109.24 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.317 -0.865 . . . . 0.0 108.942 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.4 t -64.41 -40.87 96.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.2 m -65.78 -46.59 78.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.521 -1.362 . . . . 0.0 108.576 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.07 -40.87 91.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 146' ' ' ARG . 28.5 ttt-85 -60.08 -50.63 72.96 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.201 -0.937 . . . . 0.0 110.49 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -59.97 -42.14 93.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.902 -1.124 . . . . 0.0 110.47 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.98 -34.28 76.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 110.259 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.94 -48.7 80.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.865 -1.147 . . . . 0.0 110.473 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -69.96 -35.15 74.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.908 -1.12 . . . . 0.0 110.478 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.803 -1.186 . . . . 0.0 110.604 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.38 -15.5 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.801 -1.187 . . . . 0.0 110.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.377 -0.827 . . . . 0.0 109.755 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.04 -4.04 42.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.001 -1.062 . . . . 0.0 110.099 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.65 152.54 24.67 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -60.45 140.34 57.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.285 -0.884 . . . . 0.0 108.781 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -57.91 -40.82 86.44 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.9 -1.125 . . . . 0.0 110.7 -178.096 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.3 Cg_exo -62.43 -30.19 79.96 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.116 1.877 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -88.8 -0.82 57.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.199 -0.938 . . . . 0.0 110.628 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -57.47 -39.35 76.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.139 -0.976 . . . . 0.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.01 84.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.69 -1.256 . . . . 0.0 109.536 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.68 -39.29 52.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.61 80.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 0.0 110.473 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.67 -39.45 91.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.823 -1.173 . . . . 0.0 109.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.9 t . . . . . 0 N--CA 1.493 1.718 0 O-C-N 120.745 -1.222 . . . . 0.0 110.36 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.418 0.628 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.0 -34.54 73.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.1 m -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.854 -1.154 . . . . 0.0 109.623 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.57 -40.07 94.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 108.982 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -60.06 -47.31 86.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.72 . . . . 0.0 110.07 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -58.94 -40.02 83.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.995 -1.066 . . . . 0.0 108.946 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.01 -0.21 57.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.396 -0.815 . . . . 0.0 110.392 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.45 155.8 24.52 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.839 -1.163 . . . . 0.0 109.226 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 158.33 35.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.98 -1.075 . . . . 0.0 108.965 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -59.91 -39.98 87.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.39 -0.819 . . . . 0.0 110.082 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.9 p -59.96 -39.84 86.99 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.96 -42.1 97.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.435 -0.791 . . . . 0.0 110.742 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.411 ' CZ ' ' CB ' ' A' ' 104' ' ' ARG . 7.8 mtm-85 -65.17 -40.08 93.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.547 -1.345 . . . . 0.0 109.097 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -65.46 -39.74 92.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.93 -49.17 78.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 108.99 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.97 90.78 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.318 -0.864 . . . . 0.0 108.759 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.78 -40.09 91.28 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.613 -0.679 . . . . 0.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -68.28 -40.04 81.94 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.079 -1.013 . . . . 0.0 111.398 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -81.96 -8.93 59.7 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.8 tp -73.48 -49.08 6.8 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 120.798 -1.189 . . . . 0.0 111.747 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 46.3 Cg_endo -66.38 -26.08 48.44 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 CA-C-N 120.961 1.379 . . . . 0.0 112.639 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.38 -44.51 29.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.741 -1.225 . . . . 0.0 109.706 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -40.56 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.09 84.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.75 87.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.85 -43.4 94.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.112 -0.993 . . . . 0.0 109.122 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 85.9 tt0 -60.18 -41.55 93.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.058 -1.026 . . . . 0.0 110.068 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.6 mtp -72.76 -39.99 66.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.634 -1.291 . . . . 0.0 111.809 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.82 -40.01 96.06 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.001 -1.062 . . . . 0.0 111.051 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 5.5 p-10 -70.34 -12.65 61.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.8 -1.188 . . . . 0.0 109.328 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.5 0.27 50.39 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.099 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.49 24.21 76.64 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.0 mt -76.15 140.18 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.059 -1.26 . . . . 0.0 107.688 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -57.02 139.19 53.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.86 -1.15 . . . . 0.0 109.595 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -56.0 -42.27 76.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.328 -0.858 . . . . 0.0 110.218 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -59.87 -43.21 94.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.958 -1.089 . . . . 0.0 109.531 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -69.99 -44.29 69.68 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.817 -1.177 . . . . 0.0 109.761 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.66 76.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.22 -0.925 . . . . 0.0 110.388 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -68.22 -40.25 82.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.952 -1.093 . . . . 0.0 109.734 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.89 87.97 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.145 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 57.7 m -61.9 -45.65 92.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 0.0 109.716 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.17 -49.11 82.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.866 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.81 -35.94 79.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.449 -0.782 . . . . 0.0 109.325 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.21 -48.15 40.5 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.71 -41.6 71.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.962 -1.316 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.3 m-85 -101.0 136.29 41.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.453 -0.779 . . . . 0.0 109.499 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -82.49 65.19 7.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.733 -1.229 . . . . 0.0 108.949 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.04 159.88 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.305 -0.872 . . . . 0.0 109.441 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -72.64 129.1 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.052 -1.03 . . . . 0.0 109.882 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.04 87.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 t -67.65 -40.33 84.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.129 -0.982 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 60.2 m -61.04 -48.97 79.31 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.125 -0.985 . . . . 0.0 110.51 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.25 -41.41 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.269 -0.894 . . . . 0.0 110.375 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -59.92 -51.13 70.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 110.344 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.08 -40.14 92.56 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.808 -1.182 . . . . 0.0 111.059 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -68.61 -36.8 79.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.262 -0.899 . . . . 0.0 111.264 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.98 -47.73 84.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.772 -1.205 . . . . 0.0 109.335 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -61.1 -39.83 91.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.849 -1.157 . . . . 0.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.0 -40.13 88.14 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.887 -1.133 . . . . 0.0 111.049 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.72 -12.94 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.665 -1.272 . . . . 0.0 111.047 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -59.87 -33.26 71.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.112 . . . . 0.0 109.876 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.22 -24.53 61.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.943 . . . . 0.0 109.884 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -104.79 152.66 22.3 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.221 -0.924 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.9 45.89 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.402 -0.811 . . . . 0.0 110.519 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -49.46 -61.18 3.74 Favored Pre-proline 0 N--CA 1.487 1.42 0 O-C-N 121.625 -0.672 . . . . 0.0 110.783 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -30.45 -42.52 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.662 2.241 . . . . 0.0 114.46 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -88.87 0.42 56.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.749 -1.22 . . . . 0.0 111.271 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -57.8 -39.55 77.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.071 -1.018 . . . . 0.0 109.035 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.41 76.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.237 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.58 -38.26 48.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 110.345 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.21 80.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.195 -0.941 . . . . 0.0 110.458 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.57 -23.98 64.55 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.325 -0.86 . . . . 0.0 109.905 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 109.905 -179.325 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 122.024 0.916 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -68.75 -27.27 65.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -59.96 -40.21 88.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.228 -1.545 . . . . 0.0 108.914 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -61.13 -40.24 93.06 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.918 -1.114 . . . . 0.0 108.251 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -62.37 -44.63 96.02 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.698 -0.626 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 47.7 t0 -59.44 -39.75 84.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.027 -1.046 . . . . 0.0 109.194 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -81.83 -4.95 57.71 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 109.893 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.09 156.17 38.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.579 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -71.37 154.39 41.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.024 -1.047 . . . . 0.0 109.759 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.9 p-10 -58.56 -40.44 83.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 109.59 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.568 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 24.1 t -60.51 -40.79 92.66 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.893 -1.129 . . . . 0.0 110.509 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -65.26 -41.02 94.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.8 mtm180 -66.33 -40.22 89.74 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.625 -1.297 . . . . 0.0 109.612 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' A' ' 105' ' ' ARG . 56.5 mtt-85 -64.22 -39.66 94.43 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.474 -0.767 . . . . 0.0 109.27 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.375 0.607 . . . . 0.0 110.199 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.63 90.42 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.883 -1.136 . . . . 0.0 109.019 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -40.15 88.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.743 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.32 -39.27 92.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.082 . . . . 0.0 110.006 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 114' ' ' VAL . 69.5 m95 -84.1 -8.0 59.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.715 -0.615 . . . . 0.0 111.81 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 16.7 tp -73.58 -44.57 7.24 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.323 -1.485 . . . . 0.0 112.06 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.4 Cg_endo -68.6 -27.37 32.7 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 121.273 1.315 . . . . 0.0 113.542 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -39.91 59.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.909 -1.119 . . . . 0.0 109.707 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.2 t -69.42 -40.54 80.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.97 -1.082 . . . . 0.0 108.704 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -67.52 -41.5 84.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.308 -0.87 . . . . 0.0 108.804 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.68 97.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.337 -0.852 . . . . 0.0 110.092 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.63 93.67 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 0.0 110.329 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.34 -41.5 89.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.887 -1.133 . . . . 0.0 109.169 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.1 -39.73 93.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.646 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.8 mmt -64.62 -40.41 95.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.788 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.05 -39.7 93.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.751 -1.218 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.81 -20.72 63.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.093 -1.005 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -78.46 -4.02 46.34 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.07 20.02 77.63 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.552 -1.309 . . . . 0.0 110.883 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.5 mt -77.7 140.92 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.998 -1.295 . . . . 0.0 108.436 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 m -51.2 141.18 15.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.475 -0.765 . . . . 0.0 109.971 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -57.33 -43.88 83.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.238 -0.913 . . . . 0.0 110.043 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.06 -46.97 86.9 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.069 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 91.0 m -67.88 -40.66 83.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.781 -1.199 . . . . 0.0 108.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.36 58.86 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.127 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -70.07 -40.23 75.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.6 93.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.828 -0.545 . . . . 0.0 109.582 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.2 m -62.27 -42.3 99.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.038 -1.039 . . . . 0.0 109.473 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.47 -49.33 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.407 -0.808 . . . . 0.0 109.212 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.3 65.95 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.172 -0.955 . . . . 0.0 108.581 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.94 -43.49 57.83 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 107.799 -2.12 . . . . 0.0 107.799 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -80.01 -52.22 8.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.188 -1.183 . . . . 0.0 109.318 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -91.28 131.11 37.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.584 -0.697 . . . . 0.0 109.341 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -83.73 68.86 10.05 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.742 -1.224 . . . . 0.0 109.364 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -131.17 160.12 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.457 -0.777 . . . . 0.0 109.049 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.3 t -71.42 129.52 39.01 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.276 -0.89 . . . . 0.0 109.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.85 97.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 110.125 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.1 m -60.88 -40.07 91.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 110.227 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.38 -46.87 78.4 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.17 -45.22 93.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.473 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -60.07 -48.22 82.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.372 -0.83 . . . . 0.0 111.104 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 52.1 t0 -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.927 -1.108 . . . . 0.0 110.101 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -69.27 -35.77 76.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.629 -1.294 . . . . 0.0 111.191 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' TYR . . . . . 0.419 ' O ' HG22 ' A' ' 152' ' ' VAL . 36.1 t80 -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.723 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.403 ' O ' ' CG ' ' A' ' 153' ' ' GLN . 47.0 m-85 -62.46 -38.86 91.42 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.241 -0.912 . . . . 0.0 109.769 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.77 -39.69 85.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.049 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 149' ' ' TYR . 24.9 m -77.45 -10.3 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.524 -1.36 . . . . 0.0 110.857 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 150' ' ' TYR . 0.9 OUTLIER -57.84 -28.91 64.54 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.894 -1.129 . . . . 0.0 110.436 -179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.36 -9.48 59.6 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.178 -0.951 . . . . 0.0 109.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -111.08 142.65 42.96 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.28 -0.887 . . . . 0.0 110.372 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -55.89 144.16 29.11 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 24.1 mmtm -50.13 -42.87 74.79 Favored Pre-proline 0 N--CA 1.506 2.342 0 O-C-N 120.917 -1.115 . . . . 0.0 111.055 -177.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 15.7 Cg_exo -69.02 -26.56 30.94 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.441 2.094 . . . . 0.0 112.234 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -87.28 -5.78 58.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.045 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -52.94 -24.32 9.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.164 -0.96 . . . . 0.0 109.617 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.16 90.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.827 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.69 -30.4 59.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 109.425 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.588 -0.695 . . . . 0.0 110.006 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.97 -38.72 86.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.88 -1.138 . . . . 0.0 109.879 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.312 -0.868 . . . . 0.0 109.967 -179.513 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.448 0.642 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -67.92 -30.3 69.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 111.042 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.9 t -60.0 -40.35 88.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.271 -1.518 . . . . 0.0 108.541 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.44 -41.78 94.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.929 -1.107 . . . . 0.0 108.566 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CE3' ' NH1' ' A' ' 104' ' ' ARG . 2.9 t-105 -64.07 -45.45 88.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.844 0.831 . . . . 0.0 109.114 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.08 -39.34 85.72 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 109.001 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.67 -0.06 56.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.896 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.54 160.75 32.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 109.693 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.7 t -70.07 146.25 51.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.144 -0.973 . . . . 0.0 109.348 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.0 -40.72 90.2 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.198 -0.938 . . . . 0.0 110.739 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.9 p -60.06 -39.87 87.47 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 109.815 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' HB3' HH21 ' A' ' 104' ' ' ARG . 23.2 mm100 -61.07 -36.89 80.83 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.654 ' HE ' ' N ' ' A' ' 104' ' ' ARG . 2.7 mmp_? -59.91 -43.07 95.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.142 -0.974 . . . . 0.0 109.199 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -60.6 -41.71 95.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.942 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.98 -49.12 78.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 109.171 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.85 95.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.96 -1.088 . . . . 0.0 108.95 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.66 -40.15 90.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.909 . . . . 0.0 109.963 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.06 -39.92 96.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 111.09 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.479 ' CE3' ' CE ' ' A' ' 148' ' ' LYS . 66.4 m95 -80.79 -9.95 59.77 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.15 -0.969 . . . . 0.0 111.434 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 13.5 tp -72.51 -46.25 9.96 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.415 -1.428 . . . . 0.0 112.232 -178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 33.7 Cg_endo -62.72 -25.13 74.89 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 CA-C-N 120.864 1.344 . . . . 0.0 112.72 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.6 -40.05 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.826 -1.171 . . . . 0.0 110.831 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 110' ' ' TRP . 40.9 t -68.87 -47.77 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.061 . . . . 0.0 109.58 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.9 -39.92 79.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.882 -1.136 . . . . 0.0 109.737 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.39 95.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.6 91.39 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.528 -0.733 . . . . 0.0 109.208 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.91 -45.83 91.3 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.36 -0.837 . . . . 0.0 109.403 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.7 mt-10 -62.36 -39.97 94.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.7 mtt -70.11 -39.99 75.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.912 . . . . 0.0 110.955 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.89 -39.97 96.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.27 -0.894 . . . . 0.0 110.911 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 44.3 p30 -65.65 -19.72 66.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 110.142 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.548 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 29.6 tt0 -76.77 4.5 9.52 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.776 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 20.75 79.94 Favored Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.159 -0.963 . . . . 0.0 111.276 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -76.92 145.76 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.852 -1.381 . . . . 0.0 109.379 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -59.88 142.36 53.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 p -58.46 -44.87 89.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.99 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -59.98 -45.07 93.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.915 -1.116 . . . . 0.0 109.826 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.2 m -66.12 -44.44 84.24 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.788 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.89 66.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.64 -0.662 . . . . 0.0 110.314 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -66.1 -39.96 90.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.041 -1.037 . . . . 0.0 109.583 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.045 -1.035 . . . . 0.0 109.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.8 m -64.63 -42.42 95.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.035 -1.041 . . . . 0.0 110.07 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.69 -45.51 98.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.192 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.08 -28.64 68.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.209 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.27 -50.1 23.35 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -73.6 -41.76 62.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.004 -1.292 . . . . 0.0 109.076 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.3 m-85 -99.33 134.18 42.57 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.211 -0.931 . . . . 0.0 109.633 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -84.23 63.67 7.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.946 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.24 159.03 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.558 -0.714 . . . . 0.0 109.218 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 m -72.82 129.61 38.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.482 -0.761 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.41 -0.806 . . . . 0.0 109.698 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.5 m -60.73 -40.14 91.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.066 -1.021 . . . . 0.0 110.363 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 m -66.17 -44.56 83.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.104 -0.998 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -40.44 88.83 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.296 -0.878 . . . . 0.0 110.198 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -60.06 -47.32 86.37 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.743 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -60.05 -41.21 91.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.805 -1.184 . . . . 0.0 110.9 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.479 ' CE ' ' CE3' ' A' ' 110' ' ' TRP . 15.7 mtmm -69.92 -38.39 76.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 111.796 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -59.83 -41.63 91.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.788 -1.195 . . . . 0.0 110.651 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -71.35 -37.92 71.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.728 -1.233 . . . . 0.0 109.155 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -40.6 95.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.561 -0.712 . . . . 0.0 110.994 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -80.74 -12.0 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.315 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.67 -38.8 82.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.159 -0.963 . . . . 0.0 109.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -77.5 -9.22 58.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.002 -1.061 . . . . 0.0 109.907 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.48 152.63 22.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.136 -0.977 . . . . 0.0 110.269 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.91 139.13 57.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.547 -0.721 . . . . 0.0 109.512 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.3 ttpt -52.44 -46.63 94.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.321 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 37.3 Cg_exo -59.75 -36.85 90.31 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.175 1.917 . . . . 0.0 113.094 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.44 0.8 27.89 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.029 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -58.06 -39.89 79.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.964 -1.085 . . . . 0.0 109.184 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.96 73.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.925 -1.109 . . . . 0.0 109.581 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -75.92 -31.04 58.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.275 -0.891 . . . . 0.0 109.89 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.37 71.29 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.431 -0.793 . . . . 0.0 110.761 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.41 -9.33 58.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 110.95 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 162' ' ' ALA . 11.0 m . . . . . 0 N--CA 1.496 1.855 0 O-C-N 120.801 -1.187 . . . . 0.0 109.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.812 0.815 . . . . 0.0 108.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -68.18 -27.29 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 0.0 109.43 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -58.4 -40.0 81.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 118.627 -1.229 . . . . 0.0 107.796 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -63.14 -41.39 99.28 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.05 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -60.25 -46.21 90.59 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.92 . . . . 0.0 109.096 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.537 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -87.53 -5.51 58.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.733 . . . . 0.0 109.935 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.23 148.27 51.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 109.872 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 166.92 22.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.551 -0.718 . . . . 0.0 109.442 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -59.95 -39.38 85.4 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.467 -0.771 . . . . 0.0 111.709 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.158 -0.964 . . . . 0.0 110.778 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.561 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 23.0 mp0 -67.17 -40.24 86.58 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.841 -1.162 . . . . 0.0 110.005 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -66.4 -40.21 89.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 0.0 109.46 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.21 -40.66 82.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.098 -1.001 . . . . 0.0 109.23 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 tp -66.99 -50.41 62.33 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.05 -1.031 . . . . 0.0 109.602 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.82 92.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.057 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.62 -40.52 97.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.548 -0.72 . . . . 0.0 110.468 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.0 -38.97 83.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.43 -0.794 . . . . 0.0 110.251 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.401 ' O ' HG23 ' A' ' 114' ' ' VAL . 50.3 m95 -81.17 -9.2 59.83 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.284 -0.885 . . . . 0.0 111.743 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 15.4 tp -75.81 -46.53 4.0 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 120.359 -1.463 . . . . 0.0 111.879 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 51.1 Cg_endo -66.19 -24.29 51.6 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 CA-C-N 120.805 1.323 . . . . 0.0 111.648 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.1 59.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.03 -1.044 . . . . 0.0 110.018 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.1 -40.16 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.856 -1.153 . . . . 0.0 109.486 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.22 -40.57 86.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.577 -0.702 . . . . 0.0 110.479 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 120' ' ' MET . . . -61.79 -40.04 93.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.315 -0.865 . . . . 0.0 109.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.01 92.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.27 -40.26 85.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.02 -1.05 . . . . 0.0 110.128 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.481 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.8 mt-10 -61.61 -49.82 75.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.809 -1.182 . . . . 0.0 110.251 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -71.62 -40.38 69.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.791 -1.193 . . . . 0.0 111.84 -179.25 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.47 -39.79 95.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.778 -1.201 . . . . 0.0 111.821 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 49.5 p30 -69.93 -17.25 63.32 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.667 -1.271 . . . . 0.0 109.318 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.509 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 42.7 tp60 -80.92 -2.49 47.82 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.561 -0.712 . . . . 0.0 109.621 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.2 79.63 Favored Glycine 0 N--CA 1.493 2.471 0 O-C-N 120.737 -1.227 . . . . 0.0 110.857 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.62 151.38 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.954 -1.321 . . . . 0.0 108.512 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -49.77 134.79 20.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 109.404 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -59.29 -42.98 92.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -0.874 . . . . 0.0 109.945 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -59.97 -43.23 95.2 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.42 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m -69.41 -42.1 75.52 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.812 -1.18 . . . . 0.0 109.014 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.07 69.51 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.507 -0.745 . . . . 0.0 109.231 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.403 -0.81 . . . . 0.0 109.04 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.4 m -62.51 -41.47 98.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.92 -1.113 . . . . 0.0 109.198 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.16 -47.94 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.192 -0.942 . . . . 0.0 109.316 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -62.62 -36.43 82.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.583 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.8 -49.18 37.36 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -69.51 -40.72 76.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.891 -1.358 . . . . 0.0 109.734 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.503 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.2 m-85 -106.65 135.64 47.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.439 -0.788 . . . . 0.0 109.535 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.33 63.12 4.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.907 -1.121 . . . . 0.0 109.609 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.67 153.87 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.1 m -73.89 127.99 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.315 -0.865 . . . . 0.0 110.63 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.04 88.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.559 -0.713 . . . . 0.0 110.486 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 95.2 p -63.95 -40.84 97.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.95 -1.094 . . . . 0.0 110.402 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.4 m -67.69 -43.98 78.83 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.14 -0.975 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.06 -39.77 87.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.252 -0.905 . . . . 0.0 109.931 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -58.58 -48.61 80.38 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.151 -0.968 . . . . 0.0 109.626 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.32 -42.48 95.67 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.863 -1.148 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.34 -34.72 75.05 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.81 -1.181 . . . . 0.0 111.067 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -60.08 -48.88 79.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.293 -0.88 . . . . 0.0 110.368 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.48 -38.15 77.57 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.127 -0.983 . . . . 0.0 109.115 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -60.33 -39.83 88.48 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.21 -0.931 . . . . 0.0 111.665 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.2 -12.33 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 120.296 -1.502 . . . . 0.0 111.649 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.37 -32.01 69.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.113 -0.992 . . . . 0.0 109.567 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -79.24 -10.32 59.79 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.019 -1.051 . . . . 0.0 109.761 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -107.33 150.61 26.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.95 -1.094 . . . . 0.0 110.018 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 139.35 57.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.636 -0.665 . . . . 0.0 110.04 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 15.4 mtmm -52.59 -50.96 77.61 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.221 -0.924 . . . . 0.0 111.87 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -59.44 -22.97 68.51 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.407 1.404 . . . . 0.0 112.684 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -87.82 -1.2 57.82 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.759 -1.213 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.01 -40.28 88.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.232 -0.917 . . . . 0.0 109.84 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.49 93.13 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.984 -1.072 . . . . 0.0 110.634 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -31.58 59.43 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 109.554 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.71 85.39 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.092 -1.005 . . . . 0.0 109.649 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.68 -9.03 58.18 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.022 -1.049 . . . . 0.0 110.687 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 N--CA 1.494 1.729 0 O-C-N 120.808 -1.182 . . . . 0.0 109.261 179.183 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.8 tp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.42 -28.68 65.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 110.499 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.56 -40.04 86.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.705 -1.247 . . . . 0.0 107.839 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -60.63 -43.82 97.07 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.4 t-105 -62.01 -50.81 70.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.559 -0.713 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 56.5 t0 -56.64 -38.15 71.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.461 -0.775 . . . . 0.0 109.782 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -83.15 -4.26 58.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.201 -0.937 . . . . 0.0 109.409 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.54 156.42 38.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.309 -0.87 . . . . 0.0 109.734 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 t -75.1 162.8 28.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 109.742 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.6 -40.0 90.18 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -60.39 -37.68 81.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.302 -0.874 . . . . 0.0 110.084 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.15 -39.97 88.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.109 -0.994 . . . . 0.0 109.407 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -65.97 -41.8 90.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.965 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -61.83 -43.88 97.95 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 109.973 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.73 -50.12 75.07 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.02 97.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -40.1 87.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.439 0.637 . . . . 0.0 109.692 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.72 -40.43 95.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.341 -0.849 . . . . 0.0 110.636 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -82.72 -7.51 59.65 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.875 -1.141 . . . . 0.0 112.026 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 20.9 tp -73.19 -45.69 8.04 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.452 -1.405 . . . . 0.0 112.583 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -68.88 -24.7 33.61 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.299 1.333 . . . . 0.0 112.291 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.71 -44.39 33.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 108.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.33 -42.61 84.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.281 -0.887 . . . . 0.0 108.733 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.91 -40.52 83.4 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.64 95.33 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 47.6 t0 -59.85 -41.31 91.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.6 -40.11 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 109.258 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mmm -69.1 -40.34 78.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.47 -0.769 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.13 -40.15 90.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.164 -0.96 . . . . 0.0 109.137 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -61.04 -38.57 86.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.269 -0.895 . . . . 0.0 109.695 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.82 -3.52 16.02 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.342 -0.848 . . . . 0.0 108.822 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 69.63 31.96 70.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.0 mt -79.27 148.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.196 -1.179 . . . . 0.0 109.045 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -52.92 139.69 26.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.61 -1.306 . . . . 0.0 109.893 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 p -57.87 -43.5 86.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.666 -0.646 . . . . 0.0 110.006 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.0 -43.69 95.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.125 -0.984 . . . . 0.0 109.59 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.8 m -69.73 -41.53 75.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.383 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.18 70.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.857 -0.527 . . . . 0.0 110.163 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -69.7 -38.52 77.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.023 -1.048 . . . . 0.0 109.705 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.39 98.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.923 -1.11 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.9 m -63.64 -44.44 93.84 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.69 -1.256 . . . . 0.0 108.903 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 145' ' ' LEU . 55.4 t -60.67 -46.46 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.431 -0.793 . . . . 0.0 109.216 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.21 -35.78 76.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.426 -0.796 . . . . 0.0 109.776 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.56 -50.04 27.76 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -69.57 -42.12 74.93 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.188 -1.184 . . . . 0.0 109.598 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.0 m-85 -103.23 138.21 40.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.84 . . . . 0.0 110.755 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -84.51 61.18 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.975 -1.078 . . . . 0.0 109.299 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.9 158.7 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.723 . . . . 0.0 109.99 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.0 m -75.26 131.87 40.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.702 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.56 90.02 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.08 -1.013 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.2 p -63.71 -40.02 95.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 110.409 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.5 m -65.02 -47.03 78.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.992 . . . . 0.0 110.282 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 134' ' ' VAL . 38.2 tp -58.59 -39.81 81.42 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.734 -0.603 . . . . 0.0 109.616 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -59.12 -47.97 83.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 109.947 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -60.41 -41.54 94.11 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.969 -1.082 . . . . 0.0 110.037 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.97 -34.23 74.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.1 -46.8 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.81 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -66.7 -30.93 71.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.053 -1.03 . . . . 0.0 109.287 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.92 -40.19 88.04 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.077 -1.014 . . . . 0.0 111.393 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.17 -12.72 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 111.369 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.72 -38.1 80.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.7 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -74.33 -8.85 57.65 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.505 -0.747 . . . . 0.0 109.695 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.68 141.61 45.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.527 -0.733 . . . . 0.0 109.665 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.469 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.64 146.04 50.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.612 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 6.7 mtmt -50.47 -50.02 74.19 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 120.707 -1.245 . . . . 0.0 110.97 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 71.8 Cg_exo -49.68 -41.77 44.85 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.248 1.965 . . . . 0.0 113.877 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 p-10 -89.1 5.54 44.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.646 -1.284 . . . . 0.0 111.021 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.44 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -56.36 -40.08 73.93 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.812 -1.18 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.19 80.45 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.85 -1.156 . . . . 0.0 109.979 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -79.13 -22.84 44.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.998 -1.064 . . . . 0.0 110.2 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.53 79.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.03 -1.044 . . . . 0.0 111.239 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.13 1.98 8.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.376 -0.827 . . . . 0.0 111.206 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 162' ' ' ALA . 32.0 m . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.517 -1.364 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.617 0.722 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -67.99 -28.92 67.85 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.87 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -60.47 -40.23 90.51 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.137 -1.602 . . . . 0.0 108.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.47 -43.18 97.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.89 -40.15 87.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.515 -0.741 . . . . 0.0 110.07 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -87.72 -1.04 57.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.093 -1.004 . . . . 0.0 109.66 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.6 46.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.166 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -70.25 159.14 34.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.751 . . . . 0.0 109.949 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 102' ' ' SER . 35.1 p-10 -59.89 -39.12 84.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.733 -0.604 . . . . 0.0 109.923 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 55.4 m -60.13 -40.21 88.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.65 -1.281 . . . . 0.0 110.059 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -65.09 -40.8 95.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 109.814 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 85.1 mtm180 -69.65 -40.26 76.59 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.328 -0.857 . . . . 0.0 109.762 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 105' ' ' ARG . 15.2 ttt-85 -62.5 -41.46 98.85 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.343 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.56 -46.85 88.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.384 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.666 -1.271 . . . . 0.0 108.57 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.9 -38.04 81.12 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.18 -38.39 85.31 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.222 -0.924 . . . . 0.0 110.512 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -87.07 -8.15 57.36 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 18.6 tp -74.87 -36.97 2.51 Favored Pre-proline 0 N--CA 1.509 2.479 0 O-C-N 119.474 -2.016 . . . . 0.0 111.84 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 20.2 Cg_exo -64.95 -33.3 52.31 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.677 2.252 . . . . 0.0 111.592 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.02 52.49 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.288 -0.882 . . . . 0.0 110.256 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 t -70.15 -41.03 78.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.719 -1.238 . . . . 0.0 109.12 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.56 -41.92 92.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.267 -0.895 . . . . 0.0 109.843 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.5 92.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.538 -0.726 . . . . 0.0 109.775 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.24 91.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.473 -0.767 . . . . 0.0 110.439 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.557 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 39.2 t0 -59.77 -40.2 87.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.768 -1.207 . . . . 0.0 108.895 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.63 -40.37 95.33 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.196 -0.94 . . . . 0.0 110.582 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.9 mmt -72.68 -40.12 66.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.117 -0.99 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.21 -40.04 96.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.319 -0.863 . . . . 0.0 110.085 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.557 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 89.7 m-20 -65.19 -26.26 68.07 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.07 -1.019 . . . . 0.0 109.544 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -77.82 -0.3 26.69 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.5 28.3 65.88 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.51 141.66 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.81 -1.406 . . . . 0.0 108.922 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 p -53.01 138.91 29.38 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.92 0.867 . . . . 0.0 109.505 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.3 p -59.62 -41.31 90.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.248 -0.907 . . . . 0.0 110.616 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.11 -46.19 88.97 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.112 -0.992 . . . . 0.0 109.467 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.3 m -69.15 -40.99 77.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.48 69.35 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.297 -0.877 . . . . 0.0 110.518 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.84 -39.5 79.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.685 -1.259 . . . . 0.0 108.773 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.6 73.08 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.862 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -40.05 88.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.81 -1.181 . . . . 0.0 109.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.34 -42.5 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.2 -31.92 73.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.11 -0.994 . . . . 0.0 109.35 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.07 13.51 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -66.16 -42.22 89.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.4 m-85 -104.7 127.16 52.39 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.569 0.7 . . . . 0.0 109.815 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 70.75 7.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.808 -1.183 . . . . 0.0 109.475 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.51 158.16 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.5 m -68.74 127.3 32.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.247 -0.908 . . . . 0.0 108.754 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.06 87.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.527 -0.733 . . . . 0.0 109.322 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.5 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.968 -0.457 . . . . 0.0 110.84 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 79.3 m -64.07 -49.79 70.9 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.204 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.84 -40.43 88.47 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.354 -0.841 . . . . 0.0 109.709 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -60.27 -49.98 75.46 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.18 -40.77 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.728 -1.232 . . . . 0.0 109.552 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.45 -37.96 88.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.369 -0.832 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.74 -47.62 84.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.017 -1.052 . . . . 0.0 110.693 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -66.55 -38.98 88.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.17 -0.956 . . . . 0.0 110.03 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.59 -40.99 93.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.906 -1.121 . . . . 0.0 111.434 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.35 -13.1 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.269 -0.894 . . . . 0.0 111.015 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -58.53 -38.72 78.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.829 -1.169 . . . . 0.0 108.479 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -74.91 -6.4 49.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.625 -0.672 . . . . 0.0 109.746 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -109.09 149.27 29.55 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.62 139.4 57.23 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 88.0 mttt -57.24 -40.2 82.98 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.064 -1.022 . . . . 0.0 111.674 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.0 Cg_exo -62.61 -28.47 77.07 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 121.722 1.615 . . . . 0.0 112.177 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -87.27 -2.28 58.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.297 -0.877 . . . . 0.0 109.3 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -60.13 -39.85 87.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.995 . . . . 0.0 109.762 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.04 90.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.919 -1.113 . . . . 0.0 109.016 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -80.69 -24.05 39.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.935 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.38 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.924 -1.11 . . . . 0.0 110.715 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.01 -19.1 61.91 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.14 -0.975 . . . . 0.0 111.632 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 162' ' ' ALA . 1.8 p . . . . . 0 N--CA 1.496 1.84 0 O-C-N 120.553 -1.342 . . . . 0.0 109.476 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -67.22 -31.33 71.63 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.8 t -60.34 -41.07 92.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.444 -1.41 . . . . 0.0 108.34 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -60.35 -40.3 90.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.191 -0.943 . . . . 0.0 108.988 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.401 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 12.1 t-105 -61.36 -54.18 47.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.88 87.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.392 -0.817 . . . . 0.0 108.937 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.72 -1.29 50.95 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.408 -0.807 . . . . 0.0 109.499 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.87 42.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.089 -1.007 . . . . 0.0 109.73 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.6 m -74.2 164.85 26.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.168 -0.958 . . . . 0.0 110.024 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.08 -40.67 90.34 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.357 -0.839 . . . . 0.0 110.208 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.3 m -60.17 -39.99 88.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 109.208 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.17 -39.92 94.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.259 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.497 HH11 ' HG2' ' A' ' 104' ' ' ARG . 0.1 OUTLIER -63.79 -43.83 95.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.571 -0.706 . . . . 0.0 109.143 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -64.91 -40.23 94.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.08 -50.69 72.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.976 -1.078 . . . . 0.0 109.208 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.941 -1.1 . . . . 0.0 108.701 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.27 -38.39 89.11 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.375 -0.828 . . . . 0.0 109.125 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.9 -39.84 94.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 111.826 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -88.91 -4.39 58.47 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.134 -0.979 . . . . 0.0 113.388 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 17.4 tp -77.92 -36.08 1.32 Allowed Pre-proline 0 N--CA 1.509 2.506 0 O-C-N 119.642 -1.911 . . . . 0.0 112.351 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 22.8 Cg_exo -64.08 -35.81 51.57 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.67 2.247 . . . . 0.0 112.107 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.76 -41.54 44.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.681 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.9 -45.68 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.725 -1.235 . . . . 0.0 109.114 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -62.21 -45.24 94.23 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 109.39 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.35 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.498 -0.751 . . . . 0.0 108.981 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.41 84.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.561 -0.712 . . . . 0.0 109.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 30.9 t0 -57.9 -46.72 84.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.609 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 48.9 mt-10 -63.0 -40.02 96.52 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.037 -1.039 . . . . 0.0 109.902 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.6 mtp -70.08 -40.14 75.18 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.44 -40.04 94.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 46.6 p30 -65.44 -15.96 63.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.597 -1.315 . . . . 0.0 110.5 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.423 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 56.9 tt0 -80.07 -4.23 51.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.014 -1.054 . . . . 0.0 109.363 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.09 25.21 64.59 Favored Glycine 0 N--CA 1.496 2.662 0 O-C-N 120.943 -1.098 . . . . 0.0 110.944 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.31 146.27 8.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.78 -1.424 . . . . 0.0 108.977 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -54.48 140.12 35.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.77 -1.206 . . . . 0.0 109.906 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -59.0 -42.43 90.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.493 -0.754 . . . . 0.0 109.911 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.189 -0.944 . . . . 0.0 110.027 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.9 m -67.47 -44.05 79.53 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.069 -1.02 . . . . 0.0 109.168 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.0 75.34 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.064 -1.022 . . . . 0.0 110.655 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.9 -39.44 83.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.45 -1.406 . . . . 0.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.42 86.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.093 -1.005 . . . . 0.0 109.285 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 99.1 m -61.34 -47.02 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.955 . . . . 0.0 110.187 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.88 -47.22 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.112 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.25 -28.15 69.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.839 -1.163 . . . . 0.0 109.018 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.9 -49.61 22.08 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 119.055 -1.545 . . . . 0.0 109.454 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -71.95 -39.98 68.99 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.981 -1.305 . . . . 0.0 109.026 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.7 m-85 -99.1 135.57 40.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -82.8 67.03 8.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.457 -0.777 . . . . 0.0 109.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.65 158.05 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.752 . . . . 0.0 109.089 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 t -72.45 130.33 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.489 -0.757 . . . . 0.0 109.75 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.27 87.84 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.431 -0.793 . . . . 0.0 109.726 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 70.4 p -65.32 -39.92 93.05 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.2 -0.938 . . . . 0.0 110.336 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 61.9 m -63.21 -50.08 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.827 -1.171 . . . . 0.0 108.825 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.94 -40.49 89.14 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.452 -0.78 . . . . 0.0 109.348 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -60.36 -49.68 76.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 110.023 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -40.47 90.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.907 -1.121 . . . . 0.0 110.363 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -68.35 -37.2 80.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.272 -0.893 . . . . 0.0 111.487 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.72 -48.76 80.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.71 -1.244 . . . . 0.0 109.914 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -69.87 -33.39 72.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.251 -0.906 . . . . 0.0 109.775 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -60.07 -41.97 93.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.771 -1.206 . . . . 0.0 111.06 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.21 -10.03 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.768 -1.208 . . . . 0.0 111.511 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.62 -40.12 74.81 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -76.43 -7.02 54.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.085 -1.009 . . . . 0.0 109.583 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -106.9 148.73 28.24 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.401 -0.812 . . . . 0.0 110.023 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.536 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -70.92 150.21 45.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.404 -0.81 . . . . 0.0 110.226 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 43.2 mttm -52.04 -53.29 53.5 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.589 -0.694 . . . . 0.0 110.806 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 18.1 Cg_endo -58.64 -28.38 86.02 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.091 1.194 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 48.3 t0 -82.43 -19.06 39.74 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.763 -0.586 . . . . 0.0 109.826 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.536 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 44.7 m0 -54.14 -38.4 65.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.734 -1.229 . . . . 0.0 109.785 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.68 82.1 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.791 -1.193 . . . . 0.0 108.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.698 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -77.68 -38.39 47.59 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.445 -0.785 . . . . 0.0 109.566 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.27 81.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.039 -1.038 . . . . 0.0 111.056 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.64 -15.93 63.68 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.985 . . . . 0.0 111.27 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 162' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.495 1.81 0 O-C-N 120.746 -1.221 . . . . 0.0 109.393 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.498 0.666 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -69.82 -33.82 72.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.717 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.5 m -60.05 -40.29 88.9 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.119 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.44 -39.52 87.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.238 -0.914 . . . . 0.0 109.546 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -59.25 -44.24 92.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 108.965 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.47 -39.65 76.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.398 -0.814 . . . . 0.0 109.634 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -88.88 -2.98 58.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.127 -0.983 . . . . 0.0 110.016 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.85 160.81 27.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.089 -1.007 . . . . 0.0 108.995 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -70.0 151.93 45.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.149 -0.969 . . . . 0.0 109.278 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.452 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 7.9 t70 -60.05 -41.76 93.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 110.048 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -60.01 -39.98 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.012 -1.055 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.28 -39.96 88.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.058 -1.027 . . . . 0.0 110.211 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.5 mtm180 -68.2 -40.08 82.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.176 . . . . 0.0 109.438 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -66.53 -39.88 88.85 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.094 -1.004 . . . . 0.0 109.192 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.13 -46.49 88.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.934 -1.104 . . . . 0.0 108.06 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.15 93.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.989 -1.069 . . . . 0.0 109.147 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.38 -40.07 92.97 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.82 -40.99 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.488 -0.757 . . . . 0.0 110.898 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.474 ' O ' HG23 ' A' ' 114' ' ' VAL . 71.5 m95 -82.25 -5.37 58.48 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.894 -1.129 . . . . 0.0 110.345 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 7.3 tp -73.38 -47.12 7.65 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 120.679 -1.263 . . . . 0.0 112.455 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 42.3 Cg_endo -64.03 -20.47 67.73 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 120.856 1.341 . . . . 0.0 111.598 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.19 18.1 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.028 -1.045 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 110' ' ' TRP . 45.6 t -69.19 -42.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.142 -0.974 . . . . 0.0 110.676 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.79 -38.46 89.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.904 -1.122 . . . . 0.0 110.626 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.42 94.68 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.906 -1.121 . . . . 0.0 109.687 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.08 88.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 110.045 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.93 -40.56 89.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.914 -1.116 . . . . 0.0 109.257 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 76.5 tt0 -60.61 -43.37 97.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 108.72 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.4 mmm -70.66 -40.49 72.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.61 -0.681 . . . . 0.0 110.807 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.0 mt -68.19 -38.45 82.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.987 -1.071 . . . . 0.0 110.882 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 122' ' ' ASN . 42.6 p30 -68.97 -13.5 62.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.81 -1.181 . . . . 0.0 109.821 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.415 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 53.0 tt0 -93.33 7.37 44.7 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.83 28.39 60.97 Favored Glycine 0 N--CA 1.491 2.307 0 O-C-N 121.391 -0.818 . . . . 0.0 111.968 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.9 mm -80.48 140.07 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.92 -1.341 . . . . 0.0 108.48 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -55.62 138.53 46.86 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 108.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -56.17 -42.93 77.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -0.867 . . . . 0.0 109.738 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.07 -1.019 . . . . 0.0 108.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.7 m -66.14 -41.1 90.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.275 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.23 60.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.301 -0.874 . . . . 0.0 110.223 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -68.66 -39.48 80.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 109.419 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.31 93.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.832 -1.168 . . . . 0.0 109.021 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 96.2 m -61.62 -44.83 96.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.551 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.57 -45.47 78.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.654 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.67 -29.38 70.38 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.32 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.73 -48.6 21.45 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -70.08 -40.57 74.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -1.175 . . . . 0.0 109.296 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.492 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.8 m-85 -99.32 139.4 35.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.189 -0.945 . . . . 0.0 108.946 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -83.58 62.81 7.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.705 -1.247 . . . . 0.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.97 147.06 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.437 ' OG ' ' OG1' ' A' ' 144' ' ' THR . 64.3 p -70.15 137.65 51.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.471 -0.768 . . . . 0.0 109.977 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.11 92.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.987 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.1 p -61.45 -40.11 93.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.163 -0.961 . . . . 0.0 110.093 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.437 ' OG1' ' OG ' ' A' ' 141' ' ' SER . 98.8 m -66.61 -51.4 56.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.352 -0.843 . . . . 0.0 109.866 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.59 -42.19 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.692 0.758 . . . . 0.0 109.197 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -60.08 -49.81 76.19 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.536 -0.728 . . . . 0.0 110.239 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -62.17 -41.47 98.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.124 -0.985 . . . . 0.0 110.676 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -68.47 -38.38 81.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.555 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -59.16 -44.08 92.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.335 -0.853 . . . . 0.0 110.397 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.71 -39.34 76.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.407 -1.433 . . . . 0.0 109.22 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.05 -40.75 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.533 -0.729 . . . . 0.0 111.565 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.62 -13.34 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.622 -1.299 . . . . 0.0 110.556 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -58.73 -39.02 79.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.107 -0.996 . . . . 0.0 108.841 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.15 -9.53 58.7 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.27 -0.894 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.86 149.44 26.53 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.303 -0.873 . . . . 0.0 110.051 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.42 149.39 50.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.574 . . . . 0.0 109.64 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 28.5 mmtm -49.61 -50.02 69.0 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.288 -0.883 . . . . 0.0 111.269 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 42.2 Cg_endo -63.84 -24.08 68.34 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 CA-C-N 120.967 1.381 . . . . 0.0 112.044 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -81.59 -8.21 59.69 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -59.88 -40.1 87.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.951 -1.093 . . . . 0.0 109.896 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.49 90.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.098 -1.001 . . . . 0.0 109.784 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.91 61.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.429 -0.794 . . . . 0.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.47 79.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.145 -0.972 . . . . 0.0 111.131 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.09 -4.45 35.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.964 -1.085 . . . . 0.0 111.04 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.489 1.486 0 O-C-N 120.615 -1.303 . . . . 0.0 109.884 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.547 0.689 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -69.33 -39.79 77.99 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 m -59.71 -40.32 87.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.834 -1.166 . . . . 0.0 110.124 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -60.48 -40.68 92.17 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.466 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -61.47 -47.39 85.9 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.802 -1.186 . . . . 0.0 108.211 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 50.4 t0 -57.08 -36.88 71.11 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.577 -0.702 . . . . 0.0 109.459 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -82.55 -7.14 59.65 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.183 -0.948 . . . . 0.0 109.662 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.05 151.56 44.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -71.66 154.4 41.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.45 -0.781 . . . . 0.0 110.439 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.22 -40.4 90.04 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 110.177 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -60.08 -40.42 89.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.138 -0.976 . . . . 0.0 109.985 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.2 -40.16 95.49 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.557 -1.339 . . . . 0.0 108.923 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.0 mtt180 -64.28 -40.01 95.11 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.606 -0.683 . . . . 0.0 109.763 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 105' ' ' ARG . 4.0 mmt-85 -60.25 -41.7 93.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.999 -1.063 . . . . 0.0 109.933 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.84 -46.9 88.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.273 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.64 94.73 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.26 -0.9 . . . . 0.0 109.923 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.04 -39.38 85.72 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.534 -0.729 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.71 -39.9 94.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.851 -1.156 . . . . 0.0 110.611 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.445 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 75.4 m95 -81.9 -9.66 59.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.403 -0.811 . . . . 0.0 111.795 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 18.1 tp -74.59 -45.76 5.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.398 -1.439 . . . . 0.0 112.323 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 61.3 Cg_endo -67.78 -24.42 40.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.992 1.39 . . . . 0.0 112.146 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.73 59.36 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.71 -1.244 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.88 -40.65 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.995 -1.065 . . . . 0.0 108.966 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.9 mm-40 -66.25 -40.15 89.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.551 -0.718 . . . . 0.0 110.362 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.24 73.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.261 -0.899 . . . . 0.0 110.136 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.22 91.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 109.274 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -59.41 -41.44 89.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.323 -0.861 . . . . 0.0 109.121 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.13 -42.07 94.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 109.693 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.78 -39.12 84.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.269 -0.894 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.01 -29.87 69.82 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.471 -0.768 . . . . 0.0 109.251 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.62 -38.76 85.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.595 -0.69 . . . . 0.0 109.241 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -72.6 0.06 11.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.0 62.64 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.71 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.84 142.88 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.316 . . . . 0.0 108.643 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.0 p -51.49 139.93 18.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.991 -1.068 . . . . 0.0 110.214 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 p -58.68 -42.65 88.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.834 -0.541 . . . . 0.0 110.574 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.06 -45.03 91.83 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.911 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -68.3 -43.38 77.79 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 109.977 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 134' ' ' VAL . . . -60.0 -49.82 76.15 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.04 -39.47 75.72 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.635 -1.291 . . . . 0.0 109.808 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.47 81.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.048 -1.033 . . . . 0.0 109.779 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.9 m -63.65 -44.24 94.4 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.2 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 130' ' ' ALA . 54.3 t -60.48 -45.4 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.391 -0.818 . . . . 0.0 109.485 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.05 -29.31 69.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.144 -0.973 . . . . 0.0 109.247 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.22 -50.25 17.75 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.86 -41.74 78.03 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.854 -1.38 . . . . 0.0 109.494 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -102.0 136.05 42.51 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.519 -0.738 . . . . 0.0 109.266 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -82.26 63.93 6.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.53 -0.731 . . . . 0.0 109.563 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.5 m -130.36 158.4 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.0 m -74.96 130.02 38.66 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.924 -1.11 . . . . 0.0 109.97 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.1 m -62.26 -39.93 94.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 109.948 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.2 m -64.72 -49.34 71.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.076 -1.015 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.51 -43.84 97.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.056 -1.027 . . . . 0.0 110.006 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -60.27 -46.09 91.04 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.23 -0.919 . . . . 0.0 110.566 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.25 -46.9 88.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 0.0 110.641 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.445 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 45.2 mtmt -69.21 -30.45 68.63 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.827 -1.171 . . . . 0.0 110.74 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -59.94 -47.33 86.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.786 -1.196 . . . . 0.0 109.996 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.78 -35.22 76.78 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.774 -1.204 . . . . 0.0 109.673 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.08 -39.92 87.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 110.925 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 152' ' ' VAL . 29.2 m -81.76 -9.93 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.57 -1.331 . . . . 0.0 110.351 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -60.0 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.861 -1.149 . . . . 0.0 110.709 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.14 -4.27 52.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.567 -1.333 . . . . 0.0 109.464 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -103.92 145.73 29.7 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -60.37 140.12 57.32 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.132 -0.98 . . . . 0.0 109.54 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 9.8 mtpm? -52.03 -50.14 80.22 Favored Pre-proline 0 C--N 1.301 -1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 111.509 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 33.8 Cg_endo -61.61 -22.46 74.49 Favored 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.886 1.724 . . . . 0.0 113.374 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.585 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 9.4 p30 -89.98 0.04 57.32 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.967 -1.083 . . . . 0.0 109.649 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.474 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 31.1 m0 -57.57 -39.52 76.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.572 -0.705 . . . . 0.0 109.912 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -51.47 -47.08 63.28 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.681 -1.262 . . . . 0.0 109.392 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.11 62.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.985 -1.072 . . . . 0.0 109.616 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.01 84.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.96 -1.088 . . . . 0.0 109.916 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.42 -40.51 97.39 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 120.83 -1.169 . . . . 0.0 109.141 179.3 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.4 tp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.24 -31.75 70.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -0.853 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.241 -1.537 . . . . 0.0 109.201 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.55 -40.02 95.5 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.1 t-105 -59.91 -45.68 91.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.209 -0.932 . . . . 0.0 109.045 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.403 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 39.3 t0 -58.62 -37.83 76.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.235 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.95 -5.93 59.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 109.636 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.93 150.53 48.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.286 -0.884 . . . . 0.0 109.658 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -74.43 161.63 29.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.112 -0.992 . . . . 0.0 108.926 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 102' ' ' SER . 36.8 p-10 -60.06 -38.69 83.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.103 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.561 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 65.1 m -60.06 -40.27 88.88 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.228 -0.92 . . . . 0.0 109.516 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.484 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -67.11 -39.87 86.77 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 105' ' ' ARG . 41.0 ttt-85 -60.49 -47.12 87.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.676 -0.64 . . . . 0.0 110.153 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.04 -50.05 75.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.88 -1.138 . . . . 0.0 109.11 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.81 94.18 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.661 -1.274 . . . . 0.0 109.608 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.18 -40.0 92.28 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.607 -0.683 . . . . 0.0 110.154 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -65.81 -40.08 91.51 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 111.284 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.85 -10.57 59.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.958 -1.089 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 56.9 tp -72.85 -48.4 8.3 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 120.565 -1.334 . . . . 0.0 111.563 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 49.3 Cg_endo -64.79 -25.51 60.69 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.731 1.621 . . . . 0.0 112.041 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.48 62.6 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.968 -1.083 . . . . 0.0 109.257 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.95 -42.46 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.373 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -64.38 -41.04 96.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.885 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.7 83.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.133 -0.98 . . . . 0.0 109.496 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.43 90.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.242 -0.911 . . . . 0.0 109.497 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.35 -41.5 93.76 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.516 -0.74 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.48 -41.15 93.61 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.498 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.6 mmt -69.91 -40.24 75.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 109.306 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -40.15 96.71 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.929 -1.107 . . . . 0.0 109.161 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -63.68 -40.1 95.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.462 -0.774 . . . . 0.0 109.73 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.25 -3.4 29.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.67 36.39 33.37 Favored Glycine 0 N--CA 1.495 2.623 0 O-C-N 121.442 -0.786 . . . . 0.0 113.533 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 125' ' ' ILE . 1.9 mp -78.73 141.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.337 -1.684 . . . . 0.0 107.509 177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.7 m -49.26 140.02 10.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.057 -1.027 . . . . 0.0 109.268 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 -43.67 84.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.079 -1.013 . . . . 0.0 110.085 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -59.94 -42.76 94.72 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 109.223 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.095 -1.003 . . . . 0.0 110.63 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.23 74.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 111.318 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.88 -40.12 83.59 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 109.707 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.47 89.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.102 -0.999 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.8 m -60.01 -44.96 94.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.075 -1.016 . . . . 0.0 110.291 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 145' ' ' LEU . 54.7 t -61.16 -46.06 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.591 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.03 -29.34 69.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.688 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.45 -53.45 8.7 Favored Glycine 0 N--CA 1.482 1.734 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -70.52 -40.27 73.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -1.187 . . . . 0.0 109.805 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 135' ' ' ALA . 76.5 m-85 -97.99 135.12 40.14 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -88.07 61.32 6.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.929 -1.107 . . . . 0.0 108.922 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.79 159.95 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.595 -0.691 . . . . 0.0 109.388 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.0 m -71.76 128.97 37.49 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 109.179 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.79 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.452 -0.78 . . . . 0.0 109.687 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 93.1 p -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.089 -1.007 . . . . 0.0 110.301 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.4 m -63.45 -50.02 71.39 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.121 . . . . 0.0 110.228 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 134' ' ' VAL . 57.0 tp -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.494 -0.754 . . . . 0.0 109.536 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -59.12 -49.76 76.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.323 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.84 -42.42 97.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.143 -0.973 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -34.72 74.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 110.973 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -59.95 -49.6 77.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.041 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -62.74 -39.38 93.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.648 -1.283 . . . . 0.0 109.382 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.85 -39.73 86.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.616 -0.678 . . . . 0.0 111.919 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.2 -16.6 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.522 -1.361 . . . . 0.0 112.043 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.54 -38.5 77.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.546 -1.346 . . . . 0.0 109.526 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -73.32 -8.07 54.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.496 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -106.81 156.24 18.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.133 -0.98 . . . . 0.0 109.057 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -61.89 154.14 27.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.407 -0.808 . . . . 0.0 109.967 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 7.3 mtmp? -66.35 -40.02 31.46 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.675 -1.266 . . . . 0.0 112.104 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 93.7 Cg_endo -80.35 -23.14 6.41 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.813 1.675 . . . . 0.0 113.953 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 41.9 p-10 -84.88 1.92 44.94 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.752 -1.218 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.0 m0 -59.39 -40.07 85.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.436 -0.79 . . . . 0.0 108.976 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.6 87.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.667 -0.646 . . . . 0.0 110.702 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.49 -31.15 47.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.957 -1.089 . . . . 0.0 110.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.61 83.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.308 -0.87 . . . . 0.0 110.516 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.74 -29.47 66.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.91 -1.118 . . . . 0.0 109.959 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 165' ' ' VAL . 45.7 t . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.811 -1.181 . . . . 0.0 109.467 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -69.85 -29.47 66.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.483 -0.761 . . . . 0.0 109.607 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.84 -40.08 87.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.783 -1.198 . . . . 0.0 108.75 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -61.6 -40.39 94.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.636 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -61.33 -48.79 79.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.372 -0.83 . . . . 0.0 108.813 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -58.05 -35.9 72.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -0.817 . . . . 0.0 109.522 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -80.95 -6.19 58.42 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.324 -0.86 . . . . 0.0 108.847 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.47 150.82 44.52 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.396 0.617 . . . . 0.0 109.624 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -74.26 161.28 30.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.3 p-10 -59.57 -39.7 84.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.069 . . . . 0.0 109.581 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 85.6 p -60.44 -40.14 90.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.229 -0.919 . . . . 0.0 109.377 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -65.43 -41.49 93.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.492 -0.755 . . . . 0.0 109.889 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 86.0 mtm180 -66.58 -40.29 88.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.893 -1.129 . . . . 0.0 109.51 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.71 -40.1 96.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.399 -0.813 . . . . 0.0 109.369 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.14 -43.31 99.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.116 -0.99 . . . . 0.0 109.155 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.29 90.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.782 -1.199 . . . . 0.0 108.811 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.24 -40.07 96.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 110.447 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.68 -40.08 95.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.621 -0.675 . . . . 0.0 110.581 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.459 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.5 m95 -87.14 -6.91 58.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 110.923 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.6 tp -70.01 -43.46 19.57 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.295 -1.503 . . . . 0.0 111.765 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -71.46 -21.29 26.33 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 CA-C-N 120.749 1.303 . . . . 0.0 112.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.11 -42.03 33.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 0.0 109.431 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.9 t -67.85 -41.85 85.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.08 -40.43 94.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.224 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.05 95.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.077 -1.014 . . . . 0.0 109.91 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.68 88.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 57.6 t0 -59.88 -42.2 93.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.362 -0.836 . . . . 0.0 110.321 -178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 118.519 -1.272 . . . . 0.0 108.761 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.5 mtt -68.74 -41.75 78.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.715 -0.616 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.71 -39.94 95.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -61.74 -39.73 92.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.907 -1.12 . . . . 0.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -72.76 0.33 11.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 109.323 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.97 33.91 56.62 Favored Glycine 0 N--CA 1.492 2.412 0 O-C-N 120.768 -1.207 . . . . 0.0 110.996 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.65 140.23 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.5 m -59.96 141.12 56.14 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.997 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.7 p -53.91 -46.04 71.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.642 -1.286 . . . . 0.0 109.593 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.97 -49.69 75.93 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.976 -1.077 . . . . 0.0 109.276 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.8 m -68.26 -41.18 81.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.059 -1.026 . . . . 0.0 109.616 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.91 75.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 110.431 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -69.96 -39.85 75.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.535 -1.353 . . . . 0.0 109.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.1 90.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.841 -1.162 . . . . 0.0 108.823 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -48.85 79.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.19 -48.85 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.11 -30.91 70.65 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.806 -0.559 . . . . 0.0 109.577 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.03 25.5 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.97 -40.27 68.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.255 -1.144 . . . . 0.0 109.789 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.8 m-85 -100.83 137.0 39.8 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -85.36 67.68 10.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.972 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.72 156.37 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.282 -0.886 . . . . 0.0 109.779 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.7 t -72.6 132.02 43.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.48 93.31 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.013 -1.054 . . . . 0.0 109.967 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.8 t -63.6 -40.05 95.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 110.345 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 82.2 m -63.7 -50.72 68.07 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.691 -1.255 . . . . 0.0 109.485 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.56 -40.47 91.72 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.297 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -60.02 -48.51 81.43 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 0.0 110.069 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.06 -43.66 95.24 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.041 -1.037 . . . . 0.0 109.995 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.33 -40.02 85.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.589 -0.695 . . . . 0.0 110.473 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.127 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.36 -38.68 90.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.562 -1.336 . . . . 0.0 109.964 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.45 -38.82 81.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.57 -12.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.976 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.07 -39.71 82.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.823 -1.173 . . . . 0.0 109.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -72.86 -2.28 20.07 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.138 -0.977 . . . . 0.0 109.195 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.05 141.6 48.58 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -67.78 153.37 43.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.838 -1.164 . . . . 0.0 109.099 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 81.9 mttt -50.1 -51.35 62.99 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.018 -1.051 . . . . 0.0 112.419 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 5.5 Cg_endo -48.61 -40.97 38.05 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.641 1.56 . . . . 0.0 114.215 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 159' ' ' ASP . 6.7 p-10 -89.76 4.6 49.18 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.739 -1.225 . . . . 0.0 110.834 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.479 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.9 m0 -58.45 -39.92 81.22 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.854 -1.153 . . . . 0.0 108.923 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.78 68.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 109.329 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.58 64.03 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.213 -0.93 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.85 90.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.691 . . . . 0.0 110.212 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.23 -23.21 62.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 110.358 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.493 1.705 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.712 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.355 0.598 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -69.82 -30.71 68.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.223 -0.923 . . . . 0.0 111.62 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.0 m -60.23 -40.53 90.53 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.256 -1.527 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -61.13 -41.28 96.44 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.52 -46.31 90.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.548 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 59.0 t0 -56.72 -34.3 67.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.25 -0.906 . . . . 0.0 109.074 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.81 -0.58 51.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.859 -1.151 . . . . 0.0 109.574 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.66 152.56 44.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.445 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -72.83 158.95 34.56 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 102' ' ' SER . 39.3 p-10 -59.8 -40.21 87.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.723 -1.236 . . . . 0.0 109.876 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 71.6 m -60.46 -39.89 89.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.885 -1.134 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.66 -39.92 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.372 -0.83 . . . . 0.0 109.253 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.3 mtt180 -65.2 -40.86 94.75 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.835 -0.54 . . . . 0.0 110.082 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -62.09 -40.19 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.78 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.87 -49.07 79.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.724 -1.235 . . . . 0.0 108.877 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.39 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.306 -0.871 . . . . 0.0 109.514 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.65 -40.22 94.14 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.222 -0.924 . . . . 0.0 110.528 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.0 -40.47 96.42 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.078 -1.014 . . . . 0.0 110.486 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.484 ' O ' HG23 ' A' ' 114' ' ' VAL . 70.4 m95 -81.22 -9.73 59.73 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.265 -0.897 . . . . 0.0 111.471 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 17.9 tp -72.76 -45.57 9.15 Favored Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.445 -1.409 . . . . 0.0 112.262 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 47.1 Cg_endo -67.21 -26.78 41.87 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.858 1.342 . . . . 0.0 112.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.99 31.64 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.883 -1.136 . . . . 0.0 110.017 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 110' ' ' TRP . 38.6 t -70.03 -42.55 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.052 . . . . 0.0 108.406 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.09 -41.03 91.19 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.298 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.58 91.51 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.13 88.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.89 -1.131 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 58.9 t0 -59.09 -45.05 91.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.667 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.74 -40.14 88.22 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.153 -0.967 . . . . 0.0 109.102 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.29 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.398 -0.814 . . . . 0.0 109.368 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.18 -39.98 78.39 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.674 0.749 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.63 -37.17 80.59 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.456 -0.778 . . . . 0.0 110.062 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.99 -0.43 2.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.73 26.82 62.01 Favored Glycine 0 N--CA 1.497 2.766 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.817 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.66 139.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.961 -1.317 . . . . 0.0 108.957 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -55.64 141.16 38.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.213 -0.93 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.4 p -56.81 -48.71 77.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.993 -1.067 . . . . 0.0 110.381 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.14 -41.2 92.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.898 -1.126 . . . . 0.0 108.959 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.9 m -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.023 -1.048 . . . . 0.0 108.216 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.9 70.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.637 -0.664 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -69.93 -39.77 75.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.127 -0.983 . . . . 0.0 109.927 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.59 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.992 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.4 m -60.11 -43.98 95.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.639 -0.663 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.35 -47.37 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 109.822 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.98 68.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.92 -1.112 . . . . 0.0 109.276 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.7 -47.6 47.74 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -78.15 -41.33 35.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.125 -1.221 . . . . 0.0 108.921 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -96.68 131.62 43.17 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.54 -0.725 . . . . 0.0 110.067 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -85.07 62.28 7.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.161 -0.962 . . . . 0.0 110.16 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.3 160.22 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 71.2 m -72.11 134.61 45.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.463 -0.773 . . . . 0.0 109.112 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.51 91.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.071 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.5 t -64.13 -40.14 95.53 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.453 -0.779 . . . . 0.0 110.943 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.0 m -61.55 -50.0 74.44 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.624 -1.298 . . . . 0.0 110.875 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.5 -40.84 92.85 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.85 -1.156 . . . . 0.0 109.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.925 -0.484 . . . . 0.0 110.459 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.95 -40.31 95.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.825 -1.172 . . . . 0.0 109.898 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.37 -38.6 81.54 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -59.7 -46.6 88.6 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.176 -0.952 . . . . 0.0 110.471 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -67.73 -39.56 84.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.913 -1.117 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.94 -39.92 87.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.81 -4.85 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.084 -1.01 . . . . 0.0 109.985 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.88 -39.85 82.64 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 154' ' ' LYS . 2.9 mppt? -77.83 -4.83 48.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 110.561 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PHE . . . . . 0.454 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 86.1 m-85 -109.87 141.14 42.98 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -53.23 148.76 8.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.351 -0.843 . . . . 0.0 109.182 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 37.2 mttp -59.42 -42.63 93.44 Favored Pre-proline 0 C--N 1.304 -1.398 0 O-C-N 121.552 -0.717 . . . . 0.0 112.605 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 55.6 Cg_endo -68.32 -32.48 26.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.777 1.313 . . . . 0.0 113.897 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 5.8 p-10 -83.78 1.81 41.11 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.719 -1.238 . . . . 0.0 109.787 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 m0 -58.63 -39.21 79.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.207 -0.933 . . . . 0.0 109.121 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.4 71.59 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.499 -0.75 . . . . 0.0 109.594 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.21 -32.44 66.76 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.616 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.2 68.62 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.901 -1.124 . . . . 0.0 109.739 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.3 -37.22 77.7 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.086 -1.009 . . . . 0.0 111.299 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 165' ' ' VAL . 2.4 m . . . . . 0 N--CA 1.492 1.642 0 O-C-N 119.956 -1.715 . . . . 0.0 110.534 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 121.266 0.555 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -67.24 -27.68 67.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.573 -1.329 . . . . 0.0 111.821 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -59.82 -39.95 86.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.313 -1.492 . . . . 0.0 108.473 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.23 -42.59 95.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 108.333 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -62.47 -47.7 82.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.542 -0.724 . . . . 0.0 110.372 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.82 -36.85 70.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.086 -1.009 . . . . 0.0 109.698 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -81.54 -6.0 58.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.142 -0.974 . . . . 0.0 109.633 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.414 ' C ' HH12 ' A' ' 104' ' ' ARG . . . -67.15 152.14 46.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.002 -1.061 . . . . 0.0 108.898 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -75.04 162.39 28.61 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.958 -1.089 . . . . 0.0 109.128 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.73 -39.76 85.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.006 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.4 p -59.96 -39.93 87.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 110.205 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.14 -40.07 95.36 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.091 -1.006 . . . . 0.0 110.521 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.414 HH12 ' C ' ' A' ' 99' ' ' ALA . 46.0 mtm-85 -65.45 -40.0 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.739 -1.226 . . . . 0.0 109.628 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.546 HH11 ' HG2' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -59.99 -43.79 94.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.262 -0.899 . . . . 0.0 109.101 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.19 -48.67 80.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.508 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.51 86.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.102 . . . . 0.0 108.892 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.89 -38.33 81.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.433 -0.792 . . . . 0.0 109.459 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.59 -39.99 94.73 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.25 -0.906 . . . . 0.0 111.044 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.52 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 m95 -82.7 -6.24 59.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.147 -0.971 . . . . 0.0 111.714 -177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 4.4 tp -77.16 -46.69 2.71 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 120.006 -1.684 . . . . 0.0 111.314 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.8 Cg_endo -67.12 -26.66 42.6 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.197 1.265 . . . . 0.0 112.497 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.12 -39.99 62.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.033 -1.042 . . . . 0.0 109.405 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.3 t -69.16 -45.09 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.68 -40.21 96.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.927 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.23 84.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.061 -1.024 . . . . 0.0 108.618 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.44 91.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.431 -0.793 . . . . 0.0 110.195 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.9 -42.54 94.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.875 -1.14 . . . . 0.0 109.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.76 -40.32 92.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.358 -0.839 . . . . 0.0 108.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.49 -40.05 95.43 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.586 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.01 -40.0 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.07 -40.18 88.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.035 -1.041 . . . . 0.0 109.087 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -70.2 -6.91 37.82 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.93 30.31 68.13 Favored Glycine 0 N--CA 1.496 2.699 0 O-C-N 121.112 -0.992 . . . . 0.0 111.095 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.46 146.42 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.865 -1.374 . . . . 0.0 109.126 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.2 t -49.87 137.99 15.72 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.937 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.4 p -59.17 -45.58 90.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 109.757 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -56.29 -48.81 75.9 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 108.812 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.2 m -68.17 -41.12 81.97 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.329 -0.857 . . . . 0.0 110.514 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.0 75.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.856 -1.152 . . . . 0.0 110.447 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.517 ' CE2' ' NH1' ' A' ' 146' ' ' ARG . 54.7 m-85 -67.61 -39.95 84.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.007 -1.058 . . . . 0.0 110.228 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.24 93.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -0.944 . . . . 0.0 109.548 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.9 m -61.15 -40.54 94.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.072 -1.017 . . . . 0.0 109.47 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.94 -42.29 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 0.0 108.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.23 -36.68 84.86 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.4 -0.813 . . . . 0.0 109.254 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.37 79.89 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.47 -44.52 35.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.409 -1.054 . . . . 0.0 109.75 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 135' ' ' ALA . 89.7 m-85 -97.2 139.17 33.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.243 -0.911 . . . . 0.0 109.571 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -82.93 61.02 5.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.409 -0.807 . . . . 0.0 108.902 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 159.53 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.547 -0.721 . . . . 0.0 109.624 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 p -78.81 132.16 36.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 108.578 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.09 94.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.747 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 57.9 m -61.59 -40.95 96.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.185 -0.947 . . . . 0.0 110.565 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.8 m -65.38 -45.74 82.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.964 -1.085 . . . . 0.0 109.563 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.468 HD11 HG22 ' A' ' 114' ' ' VAL . 59.6 tp -59.98 -38.64 83.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 109.411 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.517 ' NH1' ' CE2' ' A' ' 131' ' ' PHE . 26.5 ttm-85 -59.23 -50.03 75.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.03 -1.044 . . . . 0.0 110.026 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.98 -40.72 96.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.311 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -39.64 86.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.511 -0.743 . . . . 0.0 111.623 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -59.86 -46.32 89.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.75 -1.219 . . . . 0.0 110.17 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.43 -37.44 83.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.753 -1.217 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.18 -39.95 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 111.117 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.83 -10.03 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.924 -1.11 . . . . 0.0 109.698 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.9 -38.66 79.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.273 -0.892 . . . . 0.0 109.085 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.42 -9.89 59.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.338 -0.851 . . . . 0.0 110.71 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.85 145.96 29.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.916 -1.115 . . . . 0.0 110.08 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.16 41.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.739 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 90.3 mttt -49.53 -52.57 48.97 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 121.516 -0.74 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 29.7 Cg_endo -60.04 -26.16 81.67 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.413 1.409 . . . . 0.0 112.298 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -87.02 -3.21 59.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.092 -1.005 . . . . 0.0 110.477 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.055 -1.028 . . . . 0.0 109.647 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.888 -1.133 . . . . 0.0 108.695 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.37 -30.64 60.24 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.33 71.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.978 -1.076 . . . . 0.0 110.515 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.83 -39.62 76.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.251 -0.906 . . . . 0.0 112.13 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.495 1.778 0 O-C-N 120.581 -1.324 . . . . 0.0 110.128 -178.622 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.559 0.695 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.8 -29.42 68.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -58.94 -39.07 80.5 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.612 -1.305 . . . . 0.0 108.014 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -61.58 -40.13 93.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.295 -0.878 . . . . 0.0 109.051 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.0 t-105 -60.45 -48.29 82.39 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 64.8 t0 -57.49 -35.82 70.69 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -83.72 -6.76 59.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 108.958 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 147.69 52.53 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.036 -1.04 . . . . 0.0 109.368 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.1 t -74.06 162.38 29.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.554 -0.716 . . . . 0.0 109.443 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.26 -41.13 88.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.93 -1.106 . . . . 0.0 109.684 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.229 -0.919 . . . . 0.0 109.402 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.13 -40.74 94.86 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.161 -0.962 . . . . 0.0 109.054 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -68.54 -39.95 80.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.036 . . . . 0.0 109.747 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.237 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.91 -48.46 81.59 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.31 88.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.399 -0.813 . . . . 0.0 109.197 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.68 -40.29 94.47 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.896 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -64.63 -39.63 94.04 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 111.079 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.541 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 61.5 m95 -80.95 -10.24 59.74 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.256 -0.903 . . . . 0.0 110.799 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.8 tp -71.3 -47.04 13.86 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 120.519 -1.363 . . . . 0.0 111.869 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 37.8 Cg_endo -63.23 -29.6 73.53 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 CA-C-N 120.718 1.292 . . . . 0.0 112.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.56 -43.76 30.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.696 -1.252 . . . . 0.0 109.801 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 110' ' ' TRP . 41.3 t -70.1 -40.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.874 -1.141 . . . . 0.0 109.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -67.24 -40.17 86.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.211 -0.931 . . . . 0.0 109.627 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.25 95.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.608 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.01 89.03 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.22 -44.61 92.3 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.136 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 88.1 tt0 -61.01 -40.19 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.463 -0.773 . . . . 0.0 109.379 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.38 -40.03 92.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.085 -1.009 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -40.29 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.281 -0.887 . . . . 0.0 111.151 -177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.7 p30 -68.51 -17.45 64.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.845 -1.159 . . . . 0.0 110.167 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 41.3 tp60 -81.62 -1.02 45.06 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.25 21.39 78.51 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.168 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.89 149.36 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.923 -1.339 . . . . 0.0 109.102 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.6 m -59.9 141.04 56.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 p -58.54 -42.57 88.13 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.243 0.544 . . . . 0.0 110.122 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.11 -45.94 91.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.943 -1.098 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.6 m -69.18 -39.97 78.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.967 -1.083 . . . . 0.0 108.903 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.96 71.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.393 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.75 -39.21 76.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.83 93.35 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.2 m -60.85 -42.03 97.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 109.951 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.88 -42.97 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.969 -1.082 . . . . 0.0 109.291 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.86 -31.06 71.79 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 109.171 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.55 -44.65 63.11 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -79.21 -42.7 25.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.1 m-85 -99.84 136.65 39.44 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -86.54 69.12 10.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.285 -0.884 . . . . 0.0 109.623 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.86 157.25 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.709 -0.619 . . . . 0.0 109.652 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.6 t -74.12 130.34 39.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.501 -0.749 . . . . 0.0 110.432 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.02 -1.05 . . . . 0.0 109.331 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -63.53 -40.78 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.835 -1.165 . . . . 0.0 110.22 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 95.8 m -64.31 -51.96 60.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.589 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.77 -40.77 93.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 110.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -60.13 -50.89 71.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.999 -1.063 . . . . 0.0 110.621 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.41 -41.54 97.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.098 -1.001 . . . . 0.0 109.594 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.541 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 51.6 mtpt -63.56 -38.51 91.41 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.664 -0.648 . . . . 0.0 110.588 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -60.06 -42.6 94.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.132 -0.98 . . . . 0.0 109.596 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -69.54 -38.42 77.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.905 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.18 -39.0 84.96 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -77.8 -8.22 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.66 -1.275 . . . . 0.0 111.512 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.95 -37.23 78.93 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.107 -0.996 . . . . 0.0 110.292 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -76.85 -10.3 59.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.277 -0.89 . . . . 0.0 109.978 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.88 143.5 33.07 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.391 -0.818 . . . . 0.0 109.061 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.47 146.64 39.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 66.6 mttt -49.79 -49.77 71.54 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 0.0 111.439 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 50.6 Cg_endo -68.12 -20.01 44.35 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 120.463 1.201 . . . . 0.0 111.797 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 54.1 t0 -83.39 -9.4 59.06 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.528 -0.732 . . . . 0.0 109.357 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -57.6 -39.98 78.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.125 -0.985 . . . . 0.0 110.021 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.35 79.05 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.733 -1.23 . . . . 0.0 109.784 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -32.51 62.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.11 71.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.167 -0.958 . . . . 0.0 110.096 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.48 -8.93 57.94 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.173 -0.955 . . . . 0.0 110.092 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 179.154 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.789 0.804 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -68.33 -30.13 69.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -39.32 85.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.883 -1.136 . . . . 0.0 109.064 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.88 -40.0 94.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.569 -1.332 . . . . 0.0 108.618 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.493 ' CZ2' ' NE ' ' A' ' 104' ' ' ARG . 4.4 t-105 -60.85 -46.2 91.51 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.94 -40.27 88.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.27 -0.894 . . . . 0.0 110.226 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.16 -1.4 58.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.508 -0.745 . . . . 0.0 109.831 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 160.84 31.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.252 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.3 t -71.9 154.06 41.47 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.776 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -60.01 -39.93 87.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.736 . . . . 0.0 109.285 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.1 p -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 109.932 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.8 -40.52 92.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.944 -1.097 . . . . 0.0 109.876 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.493 ' NE ' ' CZ2' ' A' ' 96' ' ' TRP . 61.2 mtp180 -63.1 -38.23 90.36 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.88 -1.138 . . . . 0.0 109.317 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -60.69 -41.83 95.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.121 -0.987 . . . . 0.0 109.77 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.013 -1.054 . . . . 0.0 109.266 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.01 94.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.719 -1.238 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.62 -39.97 93.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 0.0 109.41 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.94 -40.95 97.62 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.19 -0.944 . . . . 0.0 111.988 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -85.47 -7.64 58.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.902 -1.124 . . . . 0.0 111.537 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.6 tp -73.63 -45.63 7.27 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.616 -1.302 . . . . 0.0 112.171 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 23.8 Cg_endo -61.34 -27.34 82.87 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 CA-C-N 121.274 1.491 . . . . 0.0 110.526 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.63 -46.15 19.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.633 -0.667 . . . . 0.0 109.783 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 115' ' ' GLN . 0.8 OUTLIER -68.3 -42.84 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.982 -1.074 . . . . 0.0 110.147 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.442 ' N ' ' CG1' ' A' ' 114' ' ' VAL . 12.7 tt0 -63.03 -40.19 96.99 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 108.687 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.95 93.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.398 -0.814 . . . . 0.0 109.323 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.4 -43.92 92.89 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 0.0 109.205 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.71 -40.4 92.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.266 -0.896 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.83 -40.08 91.44 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.943 -1.098 . . . . 0.0 108.983 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.65 -39.11 91.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.274 -0.891 . . . . 0.0 109.198 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.6 -40.0 90.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.829 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.35 -1.88 17.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.216 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.43 36.8 69.47 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 120.973 -1.079 . . . . 0.0 111.587 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.7 mt -82.32 148.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.989 -1.301 . . . . 0.0 109.01 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -56.86 139.68 50.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 108.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -56.61 -44.43 81.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.239 -0.913 . . . . 0.0 110.575 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.48 -43.99 93.16 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.93 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.0 m -70.52 -42.13 71.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.034 -1.041 . . . . 0.0 109.923 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.82 70.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.26 -0.9 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.15 -39.49 89.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.125 -0.984 . . . . 0.0 108.828 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.918 -1.113 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.2 m -61.52 -44.85 96.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.188 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.82 -40.1 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 120.908 -1.12 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.14 -27.41 66.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.227 -0.921 . . . . 0.0 108.81 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.27 -47.05 13.65 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -69.25 -40.76 77.66 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.939 -1.33 . . . . 0.0 109.408 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.7 m-85 -105.52 136.95 44.17 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.885 -0.51 . . . . 0.0 109.777 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -78.96 66.91 4.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.288 -0.883 . . . . 0.0 108.676 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.16 158.54 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.8 m -76.34 129.32 36.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 108.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.15 87.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.92 -1.112 . . . . 0.0 109.311 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.3 m -64.12 -40.08 95.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.398 -0.814 . . . . 0.0 110.478 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.3 m -64.7 -49.92 68.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.149 -0.969 . . . . 0.0 109.719 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.08 -41.7 93.02 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.518 -0.739 . . . . 0.0 109.638 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.6 -50.37 74.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.514 -0.741 . . . . 0.0 110.174 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.35 -41.1 96.51 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.083 -1.01 . . . . 0.0 109.847 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.26 -35.3 75.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.7 -39.97 86.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.133 -0.979 . . . . 0.0 109.871 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -68.85 -37.63 79.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 109.668 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -39.38 85.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.681 -0.637 . . . . 0.0 110.879 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.421 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 20.8 m -77.67 -10.79 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.721 -1.237 . . . . 0.0 110.786 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.08 -37.29 79.47 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.845 -1.159 . . . . 0.0 109.458 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.16 -11.02 59.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 0.0 109.132 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.73 140.5 37.97 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.195 -0.941 . . . . 0.0 109.577 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.31 145.0 33.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.046 -1.034 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 7.9 mtmp? -47.26 -50.83 45.95 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.829 -0.545 . . . . 0.0 110.964 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 48.8 Cg_endo -65.8 -27.73 51.63 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 CA-C-N 120.536 1.227 . . . . 0.0 111.151 178.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -80.52 -6.09 57.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 152' ' ' VAL . 31.0 m0 -59.9 -40.24 88.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.002 -1.062 . . . . 0.0 109.914 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.028 -1.045 . . . . 0.0 108.882 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -71.97 -37.05 69.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.3 71.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.261 -0.899 . . . . 0.0 111.728 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 58.7 mt -73.93 0.12 14.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.101 -1.0 . . . . 0.0 111.094 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 162' ' ' ALA . 25.2 m . . . . . 0 N--CA 1.489 1.49 0 O-C-N 120.629 -1.295 . . . . 0.0 109.131 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 121.642 0.734 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -67.57 -30.65 70.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.0 t -59.99 -39.9 87.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.851 -1.156 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.03 -39.86 96.02 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.842 -1.161 . . . . 0.0 108.438 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.482 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.3 t-105 -60.52 -44.66 95.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.657 -0.652 . . . . 0.0 109.368 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 58.4 t0 -54.11 -35.75 62.48 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.498 -0.751 . . . . 0.0 109.137 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -85.74 -9.15 57.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.794 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.65 142.01 58.2 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.837 -1.164 . . . . 0.0 108.65 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.5 p -71.5 162.27 29.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 109.993 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 102' ' ' SER . 37.3 p-10 -59.92 -39.85 86.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.483 -0.76 . . . . 0.0 109.858 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.57 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 80.2 p -59.94 -40.02 87.5 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.873 -1.142 . . . . 0.0 108.805 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -65.4 -39.91 92.79 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.357 -0.839 . . . . 0.0 108.742 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -66.15 -39.96 90.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.688 -0.633 . . . . 0.0 110.556 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -60.75 -42.38 97.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.518 -0.739 . . . . 0.0 109.931 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.24 -50.75 72.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.16 89.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.207 -0.933 . . . . 0.0 109.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.31 -39.67 87.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.408 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -64.95 -40.08 94.48 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.227 -0.92 . . . . 0.0 110.804 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.518 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.2 m95 -80.57 -10.3 59.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.501 -0.749 . . . . 0.0 111.367 -178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 36.6 tp -73.33 -48.13 7.38 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.462 -1.398 . . . . 0.0 111.461 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 58.2 Cg_endo -68.89 -24.62 33.64 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 120.998 1.392 . . . . 0.0 112.75 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.44 39.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.912 -1.117 . . . . 0.0 110.157 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.3 t -70.49 -42.8 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.26 -42.61 96.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.0 97.46 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.52 94.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 108.884 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -42.05 84.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.463 -0.773 . . . . 0.0 110.045 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.48 -40.02 94.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.958 -1.089 . . . . 0.0 109.378 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 75.6 mtp -61.69 -39.98 93.38 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.943 -1.098 . . . . 0.0 110.05 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.25 -37.37 87.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 0.0 109.194 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -38.44 82.72 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 109.848 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -73.99 -5.62 42.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.986 -1.071 . . . . 0.0 108.484 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.27 35.96 56.22 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.455 -0.778 . . . . 0.0 111.207 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.1 140.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.273 -1.134 . . . . 0.0 109.226 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -47.96 131.99 15.3 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.055 -1.028 . . . . 0.0 109.78 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 p -57.65 -41.61 81.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.482 -0.761 . . . . 0.0 110.748 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.78 -48.26 82.39 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.651 -1.28 . . . . 0.0 108.556 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.4 m -67.86 -40.53 83.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.923 -1.111 . . . . 0.0 108.921 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.59 73.1 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.387 -0.821 . . . . 0.0 110.728 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -67.78 -40.11 84.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.758 -1.214 . . . . 0.0 109.512 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.6 93.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.979 -1.076 . . . . 0.0 110.117 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -61.35 -42.05 98.06 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.063 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.1 t -66.48 -46.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.794 -0.566 . . . . 0.0 109.891 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.16 -38.55 86.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.756 -1.215 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.26 -44.73 90.19 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -75.4 -44.96 41.88 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.172 -1.193 . . . . 0.0 110.071 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 83.7 m-85 -95.77 137.69 34.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.235 -0.916 . . . . 0.0 108.757 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.05 60.1 5.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.663 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.68 157.45 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-O 121.638 0.733 . . . . 0.0 109.605 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.9 m -73.09 134.94 44.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.566 -0.709 . . . . 0.0 109.738 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.36 85.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.983 -1.073 . . . . 0.0 108.54 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.3 t -63.52 -40.68 97.67 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.503 -0.748 . . . . 0.0 110.619 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.4 m -61.95 -50.01 73.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.347 -0.846 . . . . 0.0 110.052 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.59 -40.51 92.03 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.122 -0.986 . . . . 0.0 109.91 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.19 -51.95 67.41 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.164 -0.96 . . . . 0.0 110.443 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.6 -43.97 96.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 0.0 110.523 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -68.32 -37.13 80.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.829 -1.169 . . . . 0.0 111.105 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.65 -49.67 75.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 109.847 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -64.26 -38.65 91.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.082 -1.011 . . . . 0.0 108.607 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.86 -41.83 92.34 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 110.207 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -81.58 -16.62 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.572 -1.33 . . . . 0.0 109.66 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.64 -36.48 76.45 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.333 -0.855 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -75.89 -11.92 60.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.434 -0.791 . . . . 0.0 109.824 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.26 145.51 35.79 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.248 -0.908 . . . . 0.0 109.453 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -57.44 147.08 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.428 -0.795 . . . . 0.0 109.565 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 3.4 mttm -60.96 -43.12 90.19 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 111.06 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 86.4 Cg_exo -49.47 -38.85 44.76 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.994 1.796 . . . . 0.0 113.143 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.59 2.56 54.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 111.738 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -57.47 -42.17 82.07 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.937 -1.102 . . . . 0.0 109.332 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.106 . . . . 0.0 109.058 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.39 49.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 110.46 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.83 68.1 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.716 -1.24 . . . . 0.0 110.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.05 -30.06 67.23 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.067 -1.021 . . . . 0.0 112.94 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 165' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.492 1.667 0 O-C-N 120.11 -1.619 . . . . 0.0 109.851 -178.088 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.804 0.812 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.89 -34.93 74.2 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.533 -0.729 . . . . 0.0 110.302 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -60.49 -41.91 95.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.927 -1.108 . . . . 0.0 108.481 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.18 -40.02 88.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.472 -0.767 . . . . 0.0 108.939 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.5 t-105 -61.14 -48.24 82.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.97 -1.082 . . . . 0.0 109.454 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 60.7 t0 -58.23 -36.13 72.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.218 -0.927 . . . . 0.0 109.193 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -83.74 -3.36 57.74 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.077 -1.014 . . . . 0.0 110.187 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.52 154.22 42.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.142 -0.974 . . . . 0.0 110.02 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.1 p -70.82 160.06 33.44 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.392 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 102' ' ' SER . 40.3 p-10 -60.97 -39.83 91.08 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.121 -0.987 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 23.1 t -60.01 -39.8 87.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.961 -1.087 . . . . 0.0 110.269 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -39.94 95.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.439 -0.788 . . . . 0.0 109.0 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 91.8 mtt180 -65.6 -40.19 92.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.291 -179.25 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.86 -40.07 83.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.899 -1.126 . . . . 0.0 110.213 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -40.57 94.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.12 -0.988 . . . . 0.0 108.574 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.01 88.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.88 . . . . 0.0 109.685 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.83 -40.05 91.33 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.457 -0.777 . . . . 0.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -67.95 -39.91 83.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.536 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.524 ' O ' HG23 ' A' ' 114' ' ' VAL . 65.4 m95 -81.02 -9.48 59.83 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.036 -1.04 . . . . 0.0 111.677 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 6.3 tp -75.4 -48.21 4.15 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 120.333 -1.479 . . . . 0.0 111.819 -178.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.5 Cg_endo -66.84 -27.84 43.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 CA-C-N 121.108 1.431 . . . . 0.0 112.392 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.05 -42.15 57.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.766 -1.209 . . . . 0.0 110.167 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -68.48 -42.5 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.074 -1.016 . . . . 0.0 109.051 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.41 -40.1 92.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.043 -1.036 . . . . 0.0 108.859 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.71 94.72 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.225 -0.922 . . . . 0.0 109.832 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.46 85.64 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.492 -0.755 . . . . 0.0 108.972 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 6.9 t70 -57.56 -47.36 82.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.328 -0.857 . . . . 0.0 109.646 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.66 -40.3 96.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.047 -1.033 . . . . 0.0 110.22 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.41 -40.11 81.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.983 -1.073 . . . . 0.0 109.655 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.5 -36.41 81.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.107 . . . . 0.0 109.704 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 94.7 m-20 -60.04 -39.87 87.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.053 -1.029 . . . . 0.0 109.81 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -65.8 -5.21 8.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.0 109.083 -179.199 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.82 66.48 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.111 -0.993 . . . . 0.0 111.009 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.26 149.26 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.895 -1.356 . . . . 0.0 108.841 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -49.51 133.21 20.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 0.0 109.92 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -57.81 -42.86 85.15 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.693 0.759 . . . . 0.0 109.405 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -59.32 -47.27 86.03 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.033 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.0 m -66.87 -40.91 87.98 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.801 -1.187 . . . . 0.0 109.31 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.75 -54.22 47.86 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -67.12 -39.97 86.75 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.153 -0.967 . . . . 0.0 109.6 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.22 86.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.697 -1.252 . . . . 0.0 109.377 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.3 m -65.12 -42.16 94.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.76 -42.19 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.105 -0.997 . . . . 0.0 109.479 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.64 -30.26 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.85 -1.156 . . . . 0.0 109.065 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.07 -46.87 57.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -73.42 -43.75 59.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.012 -1.287 . . . . 0.0 108.958 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -97.56 130.7 44.59 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.554 -0.716 . . . . 0.0 109.588 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.05 61.71 4.0 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.721 -1.237 . . . . 0.0 109.53 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.66 153.01 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 CA-C-O 121.93 0.871 . . . . 0.0 110.026 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 t -71.8 130.47 41.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.955 . . . . 0.0 109.998 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.11 88.99 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.373 -0.83 . . . . 0.0 109.723 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.5 t -65.8 -40.75 92.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.21 -0.932 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.3 m -65.53 -50.29 65.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 110.156 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.02 -42.53 94.55 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.571 -0.706 . . . . 0.0 109.999 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 146' ' ' ARG . 30.1 ttt-85 -60.13 -49.28 78.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.863 -1.148 . . . . 0.0 109.748 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -61.33 -40.68 95.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.033 -1.042 . . . . 0.0 110.102 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -66.06 -39.12 89.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.408 -0.807 . . . . 0.0 110.589 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.99 -45.85 91.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -177.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -68.67 -40.05 80.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.163 -1.585 . . . . 0.0 109.351 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.26 -40.18 89.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.552 -0.718 . . . . 0.0 111.162 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.49 -11.32 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 120.475 -1.391 . . . . 0.0 109.93 -179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.0 -39.66 86.56 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.353 -0.842 . . . . 0.0 110.168 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.68 -9.01 58.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.791 -1.193 . . . . 0.0 109.508 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -106.34 146.34 30.55 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.41 -0.806 . . . . 0.0 109.933 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.97 50.28 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 53.7 mttm -50.05 -52.48 52.56 Favored Pre-proline 0 N--CA 1.487 1.423 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.106 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 25.7 Cg_endo -61.84 -21.66 72.69 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.94 1.093 . . . . 0.0 111.915 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.97 -10.1 59.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.375 -0.828 . . . . 0.0 109.718 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -59.03 -39.95 83.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.675 . . . . 0.0 109.981 -178.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.004 -1.06 . . . . 0.0 110.652 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -68.55 -39.63 80.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.128 -0.982 . . . . 0.0 109.945 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.42 80.85 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 110.693 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.13 -38.7 82.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.064 -1.022 . . . . 0.0 112.06 -177.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 162' ' ' ALA . 14.1 m . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.461 -1.4 . . . . 0.0 110.611 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -64.04 -34.35 77.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.102 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -41.48 92.29 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.733 -1.229 . . . . 0.0 109.046 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -40.46 94.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.963 . . . . 0.0 108.632 179.28 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.0 t-105 -61.36 -49.34 77.34 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.582 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.86 -39.85 82.57 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.961 -1.087 . . . . 0.0 109.347 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.96 -3.04 59.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.066 -1.021 . . . . 0.0 109.117 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.01 154.08 42.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.143 -0.973 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 t -72.34 159.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.888 -1.132 . . . . 0.0 109.808 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.96 -40.09 87.83 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.775 -0.578 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -58.09 -40.75 81.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.178 -0.951 . . . . 0.0 109.153 -179.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -63.71 -41.99 98.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -69.43 -41.05 76.84 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.643 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -60.0 -49.74 76.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 0.0 109.137 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.03 -45.59 94.17 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.589 0.709 . . . . 0.0 109.511 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.02 98.11 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.673 -1.267 . . . . 0.0 109.97 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.27 -40.03 94.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.66 -39.88 92.93 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.814 -1.179 . . . . 0.0 110.553 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.434 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.3 m95 -82.65 -6.17 59.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.115 -0.991 . . . . 0.0 111.101 -178.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.1 tp -74.63 -46.13 5.48 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.385 -1.447 . . . . 0.0 112.249 -178.01 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 73.9 Cg_endo -70.99 -21.41 27.8 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 CA-C-N 120.852 1.34 . . . . 0.0 112.047 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.09 53.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.83 -40.94 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.252 -0.905 . . . . 0.0 109.65 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.65 -40.56 80.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.47 -0.769 . . . . 0.0 110.4 -178.564 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.65 90.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.019 -1.051 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 35.8 t0 -59.89 -47.47 85.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 -179.038 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -61.13 -40.13 92.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.907 . . . . 0.0 109.701 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.1 mtt -61.24 -40.05 92.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.381 -0.825 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.46 -39.62 92.23 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.02 -40.1 92.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.938 . . . . 0.0 109.834 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -77.46 1.52 18.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.13 40.31 50.79 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 120.154 -1.022 . . . . 0.0 111.699 178.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.6 mm -79.95 141.68 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.179 -1.189 . . . . 0.0 109.096 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 t -56.26 139.67 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.738 -1.226 . . . . 0.0 108.673 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -59.75 -44.36 93.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.738 -1.226 . . . . 0.0 109.682 -178.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -59.02 -44.36 91.71 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.716 -1.24 . . . . 0.0 109.216 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.3 m -69.87 -41.53 74.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.964 -1.085 . . . . 0.0 109.604 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.96 71.46 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.376 -0.827 . . . . 0.0 110.559 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.71 -39.95 76.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.16 -0.963 . . . . 0.0 109.308 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.72 97.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.938 -1.101 . . . . 0.0 109.714 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.1 m -60.6 -43.75 97.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.023 -1.048 . . . . 0.0 109.142 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.78 -41.67 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.064 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.23 -29.12 68.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.001 -1.062 . . . . 0.0 109.849 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.89 -49.5 22.62 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -72.12 -40.35 68.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.813 -1.404 . . . . 0.0 109.146 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.4 m-85 -99.26 134.58 41.91 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.392 -0.818 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -83.8 61.58 6.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.009 -1.057 . . . . 0.0 109.516 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.41 157.03 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-O 121.816 0.817 . . . . 0.0 110.775 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.6 t -72.0 130.14 40.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.13 88.82 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.26 -0.9 . . . . 0.0 109.824 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.3 m -60.61 -40.08 90.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 110.01 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.6 m -63.46 -47.65 80.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 110.327 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.09 -40.57 90.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.441 0.638 . . . . 0.0 109.855 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -59.58 -48.03 83.24 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 109.696 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.5 -43.94 96.49 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.118 -0.989 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.63 -37.64 87.14 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.547 -0.721 . . . . 0.0 110.14 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.92 -47.1 87.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.341 -0.849 . . . . 0.0 110.172 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -67.83 -32.35 72.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.942 -1.099 . . . . 0.0 109.226 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.03 -40.02 87.88 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.0 110.52 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.26 -13.03 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.926 -1.108 . . . . 0.0 111.328 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -59.31 -38.27 79.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.743 -1.223 . . . . 0.0 109.648 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -76.09 -3.15 34.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -114.03 144.04 43.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.225 -0.922 . . . . 0.0 109.045 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.86 147.27 29.07 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.3 mptt -59.55 -39.97 75.89 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 120.813 -1.179 . . . . 0.0 112.018 -177.363 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 35.6 Cg_exo -57.42 -38.88 92.97 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.736 1.624 . . . . 0.0 113.102 -179.811 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 8.0 p-10 -88.99 5.53 43.83 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.79 -1.194 . . . . 0.0 110.378 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -57.92 -40.0 79.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.704 -1.248 . . . . 0.0 108.983 178.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.87 82.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 108.792 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.44 57.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.305 -0.872 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.69 -23.85 66.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.275 -0.891 . . . . 0.0 110.918 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.72 -28.25 65.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.647 -1.283 . . . . 0.0 110.989 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 120.815 -1.178 . . . . 0.0 109.466 179.895 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.9 tp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.999 0.428 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -67.35 -25.74 66.14 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.046 -1.034 . . . . 0.0 109.722 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.3 m -59.85 -41.57 91.71 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.656 -1.278 . . . . 0.0 108.646 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -61.22 -40.79 95.32 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.5 t-105 -60.27 -49.23 78.42 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 58.9 t0 -58.94 -38.04 78.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 109.202 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -82.57 -9.93 59.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.48 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.21 150.04 46.87 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.271 -0.893 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.62 161.39 31.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.914 -1.116 . . . . 0.0 109.552 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.558 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 6.2 m-20 -60.15 -39.88 87.93 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.597 -0.689 . . . . 0.0 110.718 -178.362 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.73 -40.01 86.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.845 -1.159 . . . . 0.0 109.561 -178.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 21.0 mp0 -66.75 -40.39 88.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.852 -1.155 . . . . 0.0 109.488 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.558 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 86.8 mtm180 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.604 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 105' ' ' ARG . 35.3 ttt-85 -62.57 -42.17 99.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.349 -0.844 . . . . 0.0 110.354 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.96 -42.75 98.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.004 -1.06 . . . . 0.0 109.288 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.062 -1.024 . . . . 0.0 109.491 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -40.66 91.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.858 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -67.64 -40.07 84.62 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.531 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 65.8 m95 -80.56 -10.15 59.75 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.142 -0.974 . . . . 0.0 112.317 -178.226 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 32.7 tp -75.3 -47.28 4.44 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.371 -1.455 . . . . 0.0 111.497 -178.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 53.8 Cg_endo -65.48 -21.51 60.2 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 CA-C-N 121.019 1.4 . . . . 0.0 112.41 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.9 32.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 110.441 -179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.2 t -65.57 -45.84 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.489 -179.289 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.97 -40.05 90.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.98 -1.075 . . . . 0.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.878 -1.138 . . . . 0.0 108.914 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.28 89.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.521 -0.737 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 49.1 t0 -59.2 -39.16 81.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.987 . . . . 0.0 109.628 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.041 -1.037 . . . . 0.0 109.878 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.8 mmt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.754 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.15 -33.04 73.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -59.99 -39.7 86.64 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.923 . . . . 0.0 110.66 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.15 4.18 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.871 -1.143 . . . . 0.0 110.041 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.64 28.47 70.9 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.784 178.731 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 126' ' ' SER . 96.6 mt -75.28 157.24 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.981 -1.305 . . . . 0.0 108.749 179.171 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 125' ' ' ILE . 48.3 t -60.03 140.3 56.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.89 -1.131 . . . . 0.0 109.706 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -59.81 -41.25 90.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.843 -1.16 . . . . 0.0 110.299 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -60.11 -46.73 88.62 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.527 -178.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.2 m -67.59 -39.93 84.8 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.75 41.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.509 -0.744 . . . . 0.0 110.955 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.136 -0.978 . . . . 0.0 109.618 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.12 93.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.554 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.2 m -61.84 -45.7 92.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.102 -0.999 . . . . 0.0 108.975 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.04 -47.04 80.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.65 -31.1 72.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.322 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.76 -47.0 42.65 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -73.94 -43.82 57.01 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.022 -1.281 . . . . 0.0 109.393 179.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.448 ' O ' ' O ' ' A' ' 135' ' ' ALA . 87.0 m-85 -96.37 134.54 39.39 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.21 -0.932 . . . . 0.0 109.415 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -83.37 65.81 8.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.42 -0.8 . . . . 0.0 109.1 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.27 157.91 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.495 -0.753 . . . . 0.0 109.668 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.1 t -72.24 129.13 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.486 -0.759 . . . . 0.0 110.042 -179.649 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.51 86.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.209 -0.932 . . . . 0.0 110.03 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 t -63.99 -40.68 96.92 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.5 m -61.97 -50.09 73.5 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.237 -0.914 . . . . 0.0 109.606 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.21 -41.88 93.98 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.096 -1.003 . . . . 0.0 109.745 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.06 -45.61 92.3 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.923 -1.111 . . . . 0.0 110.6 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 46.8 t0 -60.03 -47.91 83.89 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.884 -1.135 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' LYS . . . . . 0.531 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 49.6 mtmt -69.51 -30.42 68.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.491 -0.756 . . . . 0.0 110.855 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -58.75 -49.92 75.84 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.693 -178.177 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -69.94 -33.79 72.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.828 -1.17 . . . . 0.0 110.428 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.28 -39.78 88.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.947 -1.096 . . . . 0.0 111.666 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.14 -10.65 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.605 -1.309 . . . . 0.0 112.136 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.2 -38.6 77.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.589 -1.32 . . . . 0.0 110.398 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -75.07 -5.81 46.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.818 -1.176 . . . . 0.0 109.747 -179.029 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.46 145.56 39.99 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.479 -0.763 . . . . 0.0 109.901 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.559 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -61.38 140.05 58.09 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.739 0.781 . . . . 0.0 110.817 -178.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 40.0 mttp -51.41 -49.98 79.05 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.622 -0.674 . . . . 0.0 111.318 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 12.1 Cg_endo -54.55 -30.49 65.26 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.39 1.394 . . . . 0.0 112.71 -179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.559 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 4.3 p30 -88.54 -0.03 56.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 0.0 109.97 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -56.53 -39.99 74.31 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.914 -1.116 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.87 94.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.6 -1.312 . . . . 0.0 109.683 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -75.75 -35.67 60.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.352 -0.842 . . . . 0.0 109.747 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.33 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 111.348 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.38 -21.4 62.87 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.841 -1.162 . . . . 0.0 111.429 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 162' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 120.678 -1.264 . . . . 0.0 109.677 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.94 -29.13 66.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.273 -0.892 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.8 m -59.85 -41.12 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.009 -1.057 . . . . 0.0 109.016 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -63.44 -40.07 96.17 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.9 t-105 -61.61 -47.74 84.07 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.12 -39.59 82.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -80.86 -8.13 59.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.322 -0.861 . . . . 0.0 109.404 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.83 44.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.383 -0.823 . . . . 0.0 109.574 -179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.404 ' HB3' ' NE2' ' A' ' 103' ' ' GLN . 1.3 t -72.21 162.36 29.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.0 110.215 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . 58.2 t0 -60.05 -39.82 87.3 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.876 -0.515 . . . . 0.0 109.796 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.808 -1.182 . . . . 0.0 109.821 -179.139 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 100' ' ' SER . 2.6 mp0 -67.13 -41.78 85.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.092 -1.005 . . . . 0.0 110.085 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.16 -40.01 78.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.914 -1.116 . . . . 0.0 109.089 179.363 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.07 -40.22 97.03 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.463 -0.773 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.96 -50.04 75.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.867 -1.146 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.84 86.24 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.802 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.79 -40.08 91.3 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.944 -1.098 . . . . 0.0 109.761 -179.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -65.01 -39.9 94.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.73 . . . . 0.0 110.549 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 114' ' ' VAL . 86.3 m95 -81.21 -10.44 59.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.259 -0.901 . . . . 0.0 110.806 -179.055 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 50.7 tp -70.92 -47.9 14.81 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.516 -1.365 . . . . 0.0 111.981 -177.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 38.5 Cg_endo -65.08 -25.06 58.83 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 CA-C-N 120.857 1.342 . . . . 0.0 112.211 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.25 52.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.824 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 110' ' ' TRP . 47.5 t -69.9 -40.94 79.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.303 -0.873 . . . . 0.0 109.456 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -69.24 -41.81 76.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.992 -1.068 . . . . 0.0 109.842 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.745 -1.222 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.86 86.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.058 -1.026 . . . . 0.0 109.792 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.97 -43.53 95.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.215 -0.928 . . . . 0.0 109.74 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -41.53 96.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.19 -41.29 98.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.773 -1.204 . . . . 0.0 109.569 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.06 -36.61 84.57 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.06 -40.41 89.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.674 -0.641 . . . . 0.0 110.142 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -72.36 -0.61 12.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.25 -0.906 . . . . 0.0 109.047 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.0 65.28 Favored Glycine 0 N--CA 1.496 2.641 0 O-C-N 120.951 -1.093 . . . . 0.0 111.837 177.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.8 mt -74.15 144.26 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.973 -1.31 . . . . 0.0 108.167 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.1 t -56.53 139.97 47.81 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.6 p -58.87 -41.25 86.61 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.07 -1.019 . . . . 0.0 110.289 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.52 -44.59 93.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.947 -1.096 . . . . 0.0 108.875 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -69.93 -42.31 73.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.88 -1.138 . . . . 0.0 109.83 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.04 75.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.185 -0.947 . . . . 0.0 110.379 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -66.57 -39.43 88.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.88 -1.137 . . . . 0.0 109.181 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.66 80.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.03 -1.044 . . . . 0.0 109.033 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -63.02 -44.07 96.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.947 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.6 -49.88 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.0 109.766 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.84 -28.56 69.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.432 -0.792 . . . . 0.0 109.179 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.53 -48.25 14.01 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.59 -42.3 71.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.332 -1.099 . . . . 0.0 109.62 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 135' ' ' ALA . 90.5 m-85 -99.9 138.78 36.5 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.268 -0.895 . . . . 0.0 109.287 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -84.14 63.69 7.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.239 -0.913 . . . . 0.0 109.139 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.13 159.87 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 CA-C-O 121.765 0.793 . . . . 0.0 109.679 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -75.46 127.81 33.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.416 -0.803 . . . . 0.0 109.031 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.62 90.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.032 -1.043 . . . . 0.0 109.532 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.1 m -62.01 -40.31 95.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.408 -0.808 . . . . 0.0 110.415 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.6 m -65.37 -46.06 81.64 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.982 -1.074 . . . . 0.0 109.45 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.09 -41.53 92.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 110.061 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -59.94 -49.06 79.16 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.185 -0.947 . . . . 0.0 110.278 -178.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.45 -43.86 96.42 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.846 -1.159 . . . . 0.0 111.208 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.79 -34.33 76.56 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.067 . . . . 0.0 110.963 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -60.13 -49.58 77.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.802 -1.186 . . . . 0.0 110.355 -178.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -67.91 -36.74 80.7 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.643 -1.286 . . . . 0.0 110.059 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.01 -40.33 88.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.222 -0.924 . . . . 0.0 111.506 -178.353 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 m -81.96 -7.72 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.996 -1.065 . . . . 0.0 110.252 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 153' ' ' GLN . 1.9 tm0? -58.86 -40.29 83.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.939 -1.1 . . . . 0.0 110.01 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.56 -3.38 46.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.888 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.48 141.08 38.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.261 -0.899 . . . . 0.0 109.65 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -59.32 144.98 44.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.263 -0.898 . . . . 0.0 108.703 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.9 mptt -59.04 -40.01 78.27 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.942 -1.099 . . . . 0.0 111.646 -177.366 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 33.7 Cg_exo -61.77 -35.76 77.56 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.814 1.676 . . . . 0.0 112.417 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.72 0.73 49.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.441 -0.787 . . . . 0.0 110.414 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 28.6 m0 -56.98 -39.98 75.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.988 -1.07 . . . . 0.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.9 84.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.047 -1.033 . . . . 0.0 109.422 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.19 60.87 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.866 -1.147 . . . . 0.0 109.771 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.137 -0.977 . . . . 0.0 110.546 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.91 -39.69 87.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.24 -0.913 . . . . 0.0 110.049 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.08 -1.013 . . . . 0.0 109.065 179.548 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -64.15 -35.1 79.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.743 -0.598 . . . . 0.0 109.435 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -59.89 -39.83 86.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.094 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.42 -40.14 89.96 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -61.94 -46.18 90.46 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.276 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.96 -40.49 89.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.864 -1.147 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -82.65 -7.07 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.971 -1.081 . . . . 0.0 109.016 -179.309 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 148.78 49.38 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.27 -0.894 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -69.78 158.23 35.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 31.7 p-10 -59.75 -37.08 78.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.824 . . . . 0.0 110.225 -179.147 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 92.8 p -59.77 -40.73 89.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.853 . . . . 0.0 109.267 -179.371 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.17 -43.52 94.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.784 -1.198 . . . . 0.0 108.654 178.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -70.06 -41.68 73.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.231 -0.918 . . . . 0.0 109.663 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.038 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.39 -49.82 76.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.0 109.355 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -60.65 -39.04 86.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.156 -0.965 . . . . 0.0 109.799 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.14 -40.0 96.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.098 -1.001 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.9 m95 -84.33 -6.73 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.246 -0.909 . . . . 0.0 111.412 -178.786 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.5 tp -73.21 -45.28 8.02 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 120.509 -1.37 . . . . 0.0 112.227 -178.495 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.8 Cg_endo -66.77 -30.4 41.19 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 CA-C-N 120.811 1.325 . . . . 0.0 112.435 -179.744 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -40.65 50.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.72 -1.238 . . . . 0.0 110.249 -179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -70.4 -44.63 77.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.142 -0.974 . . . . 0.0 109.348 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.415 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.4 mm-40 -63.0 -43.48 98.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 109.149 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.46 89.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.53 -0.732 . . . . 0.0 109.408 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.65 85.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -59.95 -45.79 91.51 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 109.988 -179.025 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.38 -42.43 95.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.883 -1.136 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.4 mtp -65.63 -40.27 92.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 121' ' ' LEU . 91.9 mt -62.47 -39.8 94.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.142 -0.974 . . . . 0.0 109.453 -179.739 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 0.0 109.316 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.88 -9.56 3.09 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.474 -0.766 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.84 29.61 64.91 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.438 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.66 145.31 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -1.223 . . . . 0.0 108.347 178.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 m -53.01 137.81 32.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.115 -0.991 . . . . 0.0 108.698 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -58.29 -43.21 87.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.647 -0.658 . . . . 0.0 110.135 -178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.86 -48.6 81.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.067 -1.021 . . . . 0.0 109.621 -179.089 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.9 m -66.29 -42.02 88.94 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.537 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.87 72.05 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.523 -0.735 . . . . 0.0 111.124 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -67.35 -39.09 85.74 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.94 -1.1 . . . . 0.0 109.602 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.19 74.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.332 -0.855 . . . . 0.0 109.163 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.7 m -61.19 -42.51 98.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.894 -1.129 . . . . 0.0 110.061 179.613 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.71 -45.44 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.284 -0.885 . . . . 0.0 109.663 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.77 -27.14 67.35 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.01 -45.68 40.28 Favored Glycine 0 N--CA 1.484 1.837 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -75.59 -44.37 43.44 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.279 -1.13 . . . . 0.0 109.027 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 135' ' ' ALA . 91.8 m-85 -97.46 139.99 32.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.34 -0.85 . . . . 0.0 110.074 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -85.08 63.39 8.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.916 -1.115 . . . . 0.0 109.494 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.38 157.69 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.338 -0.851 . . . . 0.0 109.953 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.0 t -73.07 131.6 42.3 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.393 -0.817 . . . . 0.0 109.629 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.39 89.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.9 t -65.08 -39.97 93.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.903 -1.123 . . . . 0.0 110.349 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.9 m -64.86 -48.68 73.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.081 -1.012 . . . . 0.0 110.713 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.89 -44.75 94.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.101 -0.999 . . . . 0.0 110.133 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -60.1 -48.82 80.14 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.771 -1.206 . . . . 0.0 109.976 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.03 -49.13 78.64 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.02 -1.05 . . . . 0.0 110.38 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.04 -31.44 71.97 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.231 -0.918 . . . . 0.0 110.668 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.36 -40.99 83.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.038 -1.039 . . . . 0.0 109.467 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.56 -35.18 70.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.204 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.26 -40.03 88.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 111.302 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.12 -12.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.078 -1.014 . . . . 0.0 109.381 -179.538 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.8 -37.58 79.56 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.859 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -76.35 -6.19 50.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 110.547 -179.005 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -109.94 149.58 29.72 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.097 -1.002 . . . . 0.0 109.948 -179.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 108.741 -179.558 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -50.1 -49.9 72.67 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.98 -1.075 . . . . 0.0 110.238 -179.059 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 50.0 Cg_exo -53.35 -34.13 69.32 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.108 1.872 . . . . 0.0 112.651 -179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 9.5 t0 -87.4 1.07 54.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.359 -0.838 . . . . 0.0 110.146 -179.089 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.415 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 30.3 m0 -59.41 -40.35 86.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.893 -1.129 . . . . 0.0 109.135 -179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.29 -46.89 76.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.686 -1.258 . . . . 0.0 109.291 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.4 62.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 179.652 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.27 85.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.207 -0.933 . . . . 0.0 110.049 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.02 -39.79 94.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.941 -1.1 . . . . 0.0 109.713 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.304 -1.4 0 O-C-N 121.167 -0.958 . . . . 0.0 109.12 -179.114 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.714 0.769 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -69.47 -32.68 71.73 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.404 -0.81 . . . . 0.0 110.99 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -59.75 -39.95 86.48 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 108.363 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' ALA . 60.7 tttp -60.83 -42.14 97.15 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.3 t-105 -61.01 -50.08 74.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.516 -0.74 . . . . 0.0 109.412 178.785 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.83 -40.17 87.57 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.873 -1.142 . . . . 0.0 109.014 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.94 -0.81 57.19 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.543 -0.723 . . . . 0.0 110.245 -179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -67.23 158.57 31.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.245 -0.909 . . . . 0.0 109.148 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.7 t -70.03 153.42 43.23 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.529 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.4 p-10 -60.06 -37.2 79.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -0.959 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.7 p -60.16 -39.99 88.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.945 -1.097 . . . . 0.0 108.852 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.88 -40.05 95.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.009 -1.057 . . . . 0.0 109.031 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NH1' ' HG3' ' A' ' 104' ' ' ARG . 14.1 mmm-85 -65.24 -41.78 93.99 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.7 -44.2 86.88 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.37 0.605 . . . . 0.0 109.711 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.4 -46.01 91.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.679 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.24 94.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.098 -1.001 . . . . 0.0 109.958 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.368 -0.832 . . . . 0.0 109.545 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.15 -40.2 90.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.214 -0.929 . . . . 0.0 111.418 -179.098 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 114' ' ' VAL . 76.8 m95 -81.16 -8.8 59.83 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.132 -0.98 . . . . 0.0 111.333 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.408 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 63.4 tp -74.95 -47.53 4.76 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 120.395 -1.441 . . . . 0.0 111.903 -178.112 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 63.5 Cg_endo -70.29 -26.48 25.04 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 CA-C-N 121.077 1.42 . . . . 0.0 112.979 179.702 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.71 -41.4 53.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.693 -1.254 . . . . 0.0 109.841 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 110' ' ' TRP . 62.1 t -69.45 -40.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 108.781 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -65.41 -40.81 93.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.205 -0.934 . . . . 0.0 109.711 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.89 95.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.34 -0.85 . . . . 0.0 109.932 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.44 90.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -58.39 -40.53 82.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.038 -1.039 . . . . 0.0 108.856 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 75.1 tt0 -61.73 -40.24 94.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.933 -1.104 . . . . 0.0 109.989 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.9 mtt -68.58 -40.01 80.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.864 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.73 -40.17 94.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.781 . . . . 0.0 110.961 -178.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 48.2 p30 -68.1 -16.79 64.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.23 -1.544 . . . . 0.0 109.454 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 51.1 tp60 -81.55 -0.26 41.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.469 -0.769 . . . . 0.0 109.185 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.21 24.43 76.43 Favored Glycine 0 N--CA 1.494 2.509 0 O-C-N 120.935 -1.103 . . . . 0.0 110.972 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.5 mt -80.0 141.57 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.752 -1.44 . . . . 0.0 108.992 179.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.9 m -55.87 140.11 43.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.339 -0.851 . . . . 0.0 109.748 -178.667 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -58.1 -44.87 87.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.528 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.35 -46.7 85.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.872 -1.142 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 83.2 m -67.36 -40.37 85.76 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.439 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.81 -52.09 66.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.437 -0.789 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -69.6 -39.41 77.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.848 -1.157 . . . . 0.0 109.795 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.73 96.72 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.862 -1.149 . . . . 0.0 109.371 -179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -62.31 -45.3 93.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.503 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.3 t -67.82 -45.13 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.215 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.51 -33.29 73.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.191 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.61 -47.95 24.98 Favored Glycine 0 C--N 1.296 -1.674 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.03 -40.22 71.87 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.331 . . . . 0.0 109.443 179.516 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 135' ' ' ALA . 63.7 m-85 -100.17 137.95 37.91 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.062 -1.023 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.17 62.15 5.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.972 -1.08 . . . . 0.0 108.652 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.0 159.96 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -74.4 130.65 40.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 109.8 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.48 85.99 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.151 -0.968 . . . . 0.0 109.592 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.1 p -65.63 -40.03 92.09 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.566 -0.709 . . . . 0.0 110.588 -179.18 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 m -62.11 -48.52 79.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.906 -1.121 . . . . 0.0 109.404 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.9 -45.57 92.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.947 -1.096 . . . . 0.0 109.834 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -59.68 -51.75 68.44 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.384 -0.823 . . . . 0.0 110.687 -178.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 41.8 t0 -61.38 -40.41 94.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.015 -1.053 . . . . 0.0 109.766 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -67.2 -39.81 86.39 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.922 -0.486 . . . . 0.0 110.695 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.45 -48.69 79.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.862 -1.149 . . . . 0.0 109.53 -178.746 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -61.06 -39.87 91.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.858 -1.151 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.34 -40.2 93.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.034 -1.041 . . . . 0.0 110.638 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.67 -13.18 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 120.792 -1.193 . . . . 0.0 109.967 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.67 -39.6 85.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.959 -1.088 . . . . 0.0 109.93 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -73.68 -10.41 59.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.638 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -110.43 137.54 48.01 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.296 -0.878 . . . . 0.0 108.988 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.63 153.65 27.33 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.798 -179.311 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 67.5 mttt -51.16 -54.99 32.14 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.26 -0.9 . . . . 0.0 109.84 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 46.5 Cg_exo -30.64 -50.67 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 122.434 2.09 . . . . 0.0 114.938 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 36.8 p-10 -89.49 2.77 54.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.834 -1.166 . . . . 0.0 111.809 -177.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -58.27 -40.04 80.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.31 -1.494 . . . . 0.0 109.302 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.13 80.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.82 -40.05 66.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.472 -0.768 . . . . 0.0 109.871 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.97 76.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.529 -0.732 . . . . 0.0 111.029 -178.672 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.79 -39.87 87.94 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.518 -1.364 . . . . 0.0 111.548 -178.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 120.543 -1.348 . . . . 0.0 111.125 -178.446 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.462 HD23 ' OD1' ' A' ' 159' ' ' ASP . 63.4 tp . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.802 0.334 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -67.37 -31.24 71.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.724 -1.235 . . . . 0.0 110.453 -178.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.401 -1.437 . . . . 0.0 108.892 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.93 -40.51 93.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.499 -0.751 . . . . 0.0 109.118 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.1 t-105 -60.58 -50.01 75.25 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.548 0.689 . . . . 0.0 109.31 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -59.09 -39.73 83.07 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.309 -0.87 . . . . 0.0 108.898 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.78 -6.55 59.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.09 154.2 41.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 109.358 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 p -73.59 162.81 28.81 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.001 -1.062 . . . . 0.0 109.133 -179.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 94.8 m-20 -60.03 -39.88 87.41 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.551 -0.718 . . . . 0.0 109.679 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.3 p -60.07 -40.03 88.1 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.011 -1.055 . . . . 0.0 109.588 -179.565 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -62.38 -41.29 98.53 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.827 -1.171 . . . . 0.0 110.41 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 81.7 mtm180 -66.63 -40.12 88.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.664 -1.272 . . . . 0.0 109.479 -179.627 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -63.74 -39.95 95.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.495 -0.753 . . . . 0.0 110.175 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 tp -60.18 -46.43 89.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.832 -1.167 . . . . 0.0 108.198 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.53 93.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.784 -1.197 . . . . 0.0 108.976 178.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -61.87 -39.93 93.62 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.495 -0.882 . . . . 0.0 108.745 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -61.23 -38.34 86.31 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.728 -0.608 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -90.09 -0.95 57.86 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.153 -0.967 . . . . 0.0 113.204 -177.731 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 7.0 tp -74.91 -38.55 3.06 Favored Pre-proline 0 N--CA 1.501 2.115 0 O-C-N 119.538 -1.977 . . . . 0.0 110.811 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 37.7 Cg_exo -59.56 -30.73 93.12 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.076 1.851 . . . . 0.0 112.124 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.98 -49.96 18.2 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.169 -0.957 . . . . 0.0 108.793 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.427 HG13 ' CD2' ' A' ' 149' ' ' TYR . 28.8 t -69.85 -40.22 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.892 -1.13 . . . . 0.0 108.139 179.306 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -63.16 -48.11 79.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 108.968 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.4 73.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 110.041 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.24 85.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 109.258 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.7 -45.11 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.87 -40.31 92.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.469 -0.77 . . . . 0.0 109.529 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.0 mmm -60.69 -40.46 92.24 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.364 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.88 -38.76 89.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.096 -1.003 . . . . 0.0 109.729 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -60.24 -37.54 80.67 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.495 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -67.06 -6.17 16.15 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.34 31.28 68.71 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.356 -0.84 . . . . 0.0 111.18 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.0 141.92 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.838 -1.389 . . . . 0.0 108.804 178.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -50.74 134.7 24.68 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 109.271 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.3 p -59.07 -42.89 91.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.652 -0.655 . . . . 0.0 110.326 -179.145 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.86 -44.86 91.13 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.346 -179.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.3 m -70.04 -44.84 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.856 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 0.0 110.567 -179.248 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.38 -40.19 89.56 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.929 -1.107 . . . . 0.0 109.211 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.78 98.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 0.0 108.642 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.4 m -62.73 -40.1 96.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.512 -0.743 . . . . 0.0 109.433 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.35 -46.26 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.905 . . . . 0.0 109.38 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.17 -33.92 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.666 -0.646 . . . . 0.0 109.519 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.12 -42.52 76.2 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -75.4 -45.32 39.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.236 . . . . 0.0 109.289 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.4 m-85 -101.34 133.9 45.24 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.504 -0.747 . . . . 0.0 109.23 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.31 64.33 6.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.819 -1.176 . . . . 0.0 109.453 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.15 158.55 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 p -71.86 131.17 42.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.092 -1.005 . . . . 0.0 109.568 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.28 84.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.174 -0.954 . . . . 0.0 108.97 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -63.8 -39.89 95.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.585 -0.697 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.3 m -63.22 -49.75 72.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.683 -1.261 . . . . 0.0 109.585 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.64 -43.5 98.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.596 -0.69 . . . . 0.0 110.575 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 146' ' ' ARG . 44.4 ttt-85 -59.86 -46.74 88.32 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.599 -178.868 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.12 -42.58 95.06 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.202 -0.936 . . . . 0.0 110.815 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.82 -35.2 74.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.081 -1.012 . . . . 0.0 110.287 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' TYR . . . . . 0.427 ' CD2' HG13 ' A' ' 114' ' ' VAL . 27.5 t80 -59.77 -49.6 77.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.109 -177.858 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -65.46 -40.07 92.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.267 -0.896 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -40.74 90.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.001 -1.062 . . . . 0.0 111.299 -179.112 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.69 -10.74 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.642 -1.286 . . . . 0.0 110.009 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -59.74 -40.02 86.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.51 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -79.76 -6.52 57.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.641 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -104.43 143.91 32.37 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.22 -0.925 . . . . 0.0 109.845 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -56.98 141.62 44.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -55.82 -42.39 95.86 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 110.505 -178.382 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 25.1 Cg_exo -61.88 -31.68 84.96 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.447 1.432 . . . . 0.0 112.035 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' OD1' HD23 ' A' ' 92' ' ' LEU . 15.1 t70 -85.3 -2.07 57.66 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.303 -0.873 . . . . 0.0 110.369 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 30.9 m0 -59.16 -39.9 83.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 0.0 109.367 -179.334 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.87 73.67 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.788 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.89 -40.3 40.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 109.845 179.495 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.69 78.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.528 -0.733 . . . . 0.0 110.392 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.9 -37.1 83.74 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.528 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.955 -1.091 . . . . 0.0 109.349 179.718 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -67.21 -31.51 71.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.493 -0.754 . . . . 0.0 109.839 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.91 -1.118 . . . . 0.0 108.593 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -60.05 -42.05 93.63 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 9.2 t-105 -61.01 -52.65 64.1 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.674 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 51.1 t0 -59.83 -38.9 83.34 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.315 -0.865 . . . . 0.0 109.569 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -86.04 -1.94 57.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.42 -179.467 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.91 153.03 44.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.01 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.6 m -73.65 165.9 24.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.863 -1.148 . . . . 0.0 109.915 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.6 p-10 -59.94 -40.09 87.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.735 -0.603 . . . . 0.0 110.11 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -62.69 -41.02 98.89 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 109.382 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.18 -43.01 99.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.947 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 104' ' ' ARG . 53.4 mtm-85 -68.6 -39.81 80.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.071 -1.018 . . . . 0.0 108.265 178.857 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -60.0 -41.22 91.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.407 -0.808 . . . . 0.0 109.106 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -50.02 75.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.094 -1.004 . . . . 0.0 109.838 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.505 -0.747 . . . . 0.0 109.403 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.97 -39.8 86.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.414 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.43 -39.59 92.27 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.541 -0.724 . . . . 0.0 111.611 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -88.54 -3.3 58.84 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.107 -0.996 . . . . 0.0 112.825 -177.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 5.7 tp -75.99 -38.26 2.41 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 120.065 -1.647 . . . . 0.0 111.841 -177.57 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.5 Cg_exo -65.45 -31.67 51.08 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.919 1.746 . . . . 0.0 111.897 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.07 65.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.048 -1.033 . . . . 0.0 110.361 -179.566 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.91 -46.47 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.739 -1.226 . . . . 0.0 108.974 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.5 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 109.101 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.63 99.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.375 -0.828 . . . . 0.0 109.496 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.35 95.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.524 -0.735 . . . . 0.0 109.818 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 37.4 t0 -60.0 -40.59 89.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.467 -0.771 . . . . 0.0 109.642 -179.402 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -60.62 -41.68 95.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 110.265 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.2 mmt -63.77 -40.04 95.73 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.49 -39.89 92.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.903 . . . . 0.0 110.701 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.09 -40.1 88.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.816 -1.178 . . . . 0.0 109.962 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.96 0.02 8.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.97 66.79 Favored Glycine 0 N--CA 1.5 2.902 0 O-C-N 121.211 -0.931 . . . . 0.0 111.575 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.63 146.99 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.085 -1.244 . . . . 0.0 109.64 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -55.3 137.97 46.44 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.029 -1.045 . . . . 0.0 109.653 -179.191 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 p -59.98 -43.63 94.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.567 -0.708 . . . . 0.0 110.648 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -59.91 -46.41 89.45 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.946 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.3 m -69.93 -40.27 75.63 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.338 -0.851 . . . . 0.0 109.617 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.392 -0.818 . . . . 0.0 110.447 -179.139 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -68.15 -39.96 82.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.037 . . . . 0.0 109.671 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.98 96.09 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -0.976 . . . . 0.0 108.979 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.3 m -60.99 -49.47 77.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 0.0 109.792 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.89 -48.5 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.03 -34.04 72.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.636 -0.665 . . . . 0.0 109.44 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.34 -51.14 18.44 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.26 -42.51 79.53 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.284 -1.127 . . . . 0.0 109.762 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.489 ' O ' ' O ' ' A' ' 135' ' ' ALA . 77.7 m-85 -94.5 141.77 28.2 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.128 . . . . 0.0 109.173 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.01 59.24 3.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.854 -1.154 . . . . 0.0 109.689 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.57 157.81 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.451 -0.781 . . . . 0.0 109.132 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 p -76.33 136.07 39.56 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.561 -0.712 . . . . 0.0 109.503 -179.248 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.21 88.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.3 -0.875 . . . . 0.0 111.256 -179.119 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 t -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.096 -1.003 . . . . 0.0 111.354 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -63.66 -50.35 69.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.904 -1.122 . . . . 0.0 111.081 -178.336 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.93 -44.93 94.06 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.384 -0.823 . . . . 0.0 109.887 -178.731 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -59.92 -44.05 94.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.145 -0.972 . . . . 0.0 110.475 -178.701 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.71 -40.54 92.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.554 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.24 -38.92 82.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.695 -0.628 . . . . 0.0 111.071 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -58.45 -43.98 89.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.218 -0.926 . . . . 0.0 110.404 -177.353 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -70.02 -38.94 76.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.78 -1.2 . . . . 0.0 109.824 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.16 -39.81 87.71 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.65 -11.33 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.819 -1.175 . . . . 0.0 109.817 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -58.15 -38.62 76.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.0 109.627 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.48 -5.89 53.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 110.33 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -110.81 150.34 29.27 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 179.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -68.13 152.98 44.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.48 -0.762 . . . . 0.0 109.839 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 0.1 OUTLIER -51.37 -49.9 79.41 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.991 -1.068 . . . . 0.0 111.544 -179.559 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -60.95 -24.94 80.56 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 CA-C-N 120.753 1.305 . . . . 0.0 112.957 -179.368 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.13 -6.74 58.95 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.955 -1.091 . . . . 0.0 110.205 -179.314 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.1 m0 -58.87 -40.01 83.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.9 82.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.067 -1.021 . . . . 0.0 109.587 -179.133 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.36 65.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -0.942 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.13 74.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.11 -18.65 63.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.963 . . . . 0.0 110.422 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.497 1.9 0 O-C-N 120.912 -1.118 . . . . 0.0 108.868 -179.868 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -67.96 -23.58 65.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.412 -0.805 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -59.74 -45.97 90.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.905 -1.122 . . . . 0.0 110.048 -178.564 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -39.31 93.85 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 8.6 t-105 -60.01 -48.47 81.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.514 -0.741 . . . . 0.0 109.399 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -59.75 -40.2 87.34 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -87.12 -2.07 58.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.743 . . . . 0.0 109.539 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.67 155.15 39.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 108.799 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 t -70.06 155.12 41.05 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.7 -39.89 90.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.373 -0.829 . . . . 0.0 110.0 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.03 -39.86 91.37 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.369 -0.832 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.79 -40.65 97.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.094 -1.004 . . . . 0.0 110.446 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -66.3 -39.95 89.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.0 109.222 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.93 92.25 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.581 -0.7 . . . . 0.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.99 -46.55 89.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.245 -0.909 . . . . 0.0 108.684 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.09 84.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.175 -0.953 . . . . 0.0 109.073 179.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.95 -40.89 90.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.289 -0.882 . . . . 0.0 110.36 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -66.18 -39.99 90.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.502 -0.749 . . . . 0.0 110.605 -178.596 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 114' ' ' VAL . 64.8 m95 -81.44 -10.09 59.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.191 -0.943 . . . . 0.0 111.372 -178.444 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.2 tp -73.7 -46.95 7.12 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.369 -1.457 . . . . 0.0 111.807 -178.555 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.0 Cg_endo -67.19 -25.42 43.24 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 121.725 1.616 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.27 62.32 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.069 . . . . 0.0 109.131 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 110' ' ' TRP . 61.5 t -68.3 -40.28 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.199 -0.938 . . . . 0.0 109.102 179.61 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.0 -40.24 90.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.996 -1.065 . . . . 0.0 109.964 -179.44 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.7 89.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.32 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 46.3 t0 -59.2 -40.97 87.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.78 179.518 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.29 -44.39 95.41 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.326 -0.95 . . . . 0.0 108.818 179.804 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.02 -40.0 94.24 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.616 -0.678 . . . . 0.0 110.895 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.927 . . . . 0.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.59 -37.96 83.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.28 -0.888 . . . . 0.0 109.797 -179.285 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.5 -3.69 12.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.626 -0.671 . . . . 0.0 109.408 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.24 30.73 62.34 Favored Glycine 0 N--CA 1.499 2.86 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.111 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.51 147.17 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -1.105 . . . . 0.0 108.703 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.3 t -58.36 139.45 55.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.291 -178.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 p -56.51 -45.21 81.2 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 -179.15 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.91 -46.34 89.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.989 -1.069 . . . . 0.0 108.649 -179.643 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.4 m -67.27 -45.31 77.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 109.058 179.276 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.01 75.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.433 -0.792 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.71 -39.81 80.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.188 -0.945 . . . . 0.0 109.842 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.757 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.9 m -63.6 -46.45 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 109.143 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.52 -42.8 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.316 -0.865 . . . . 0.0 108.671 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.39 -29.41 70.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 178.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.61 -53.45 9.92 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.64 -1.784 . . . . 0.0 108.64 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -67.84 -40.95 83.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' ' O ' ' A' ' 135' ' ' ALA . 85.7 m-85 -99.5 133.57 43.63 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.927 -1.108 . . . . 0.0 109.367 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -81.1 61.25 4.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 108.835 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -130.18 159.64 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.217 -0.927 . . . . 0.0 109.83 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -73.25 129.48 38.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.99 85.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.017 -1.052 . . . . 0.0 109.114 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.3 m -63.41 -40.17 96.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 110.991 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.4 m -64.76 -50.69 65.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 -179.303 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.22 -40.18 89.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.418 -0.801 . . . . 0.0 110.543 -179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -60.51 -48.71 80.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 110.199 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 50.3 t0 -60.64 -45.72 93.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.0 110.271 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.414 -0.804 . . . . 0.0 109.792 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.9 -43.92 94.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 0.0 110.033 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.78 -36.88 76.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.646 -1.284 . . . . 0.0 108.631 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.43 -40.35 90.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 110.781 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.02 -15.02 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 110.009 -179.038 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.07 -39.17 81.3 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.477 -0.764 . . . . 0.0 110.288 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -77.35 -9.53 58.9 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.943 -178.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -111.88 144.47 41.14 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.411 -0.805 . . . . 0.0 110.848 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -59.87 144.87 47.63 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.906 0.86 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.535 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 33.3 mttp -52.09 -50.09 80.76 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.472 -0.768 . . . . 0.0 112.598 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 9.6 Cg_endo -51.88 -30.48 38.99 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.407 1.405 . . . . 0.0 112.825 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 4.5 p30 -89.35 -1.07 57.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.228 -0.92 . . . . 0.0 109.699 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 160' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 157' ' ' LYS . 28.5 m0 -58.79 -39.75 82.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.106 -0.996 . . . . 0.0 109.613 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.66 92.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.837 -1.164 . . . . 0.0 108.002 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.586 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.09 -39.4 75.59 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.654 -0.654 . . . . 0.0 109.27 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.63 87.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.271 -179.387 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 32.2 mt -74.55 -2.36 25.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.028 -1.045 . . . . 0.0 110.702 -178.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.9 p . . . . . 0 N--CA 1.492 1.653 0 O-C-N 120.721 -1.237 . . . . 0.0 109.187 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.39 140.09 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.303 -0.873 . . . . 0.0 109.181 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.14 -110.09 0.15 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.426 -0.796 . . . . 0.0 110.142 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -166.29 70.07 1.14 Allowed Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -69.89 150.01 66.87 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 121.499 1.466 . . . . 0.0 112.046 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.7 141.59 56.68 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.652 -0.655 . . . . 0.0 110.823 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.6 mt -91.32 124.89 35.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 108.483 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 44.8 mt-10 -117.94 -108.39 0.37 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.36 -0.838 . . . . 0.0 111.375 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.468 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -53.23 144.43 15.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' ND1' ' NE ' ' A' ' 89' ' ' ARG . 46.2 m-70 -147.06 64.16 1.17 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.978 . . . . 0.0 111.66 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.51 -39.57 91.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -121.76 146.94 46.55 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.06 122.0 17.31 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 109.052 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.718 ' CD ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -88.92 -23.26 22.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.52 -0.738 . . . . 0.0 109.071 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.91 -37.94 80.9 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.274 -0.891 . . . . 0.0 109.805 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.62 97.6 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.128 -0.982 . . . . 0.0 108.492 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.67 -46.77 88.3 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -69.17 -30.45 68.67 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.413 -0.805 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -59.98 -40.24 88.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.011 -1.055 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.13 -40.41 94.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.199 -0.938 . . . . 0.0 108.709 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.588 ' NE1' ' NH1' ' A' ' 104' ' ' ARG . 5.2 t-105 -60.17 -49.72 76.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.45 -0.781 . . . . 0.0 108.928 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' C ' HH22 ' A' ' 104' ' ' ARG . 64.4 t0 -53.69 -33.2 54.62 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.196 -0.94 . . . . 0.0 109.961 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -87.32 -3.15 59.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.59 150.75 46.73 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.324 -0.86 . . . . 0.0 109.339 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 t -71.04 159.93 33.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.118 -0.989 . . . . 0.0 109.191 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.01 -39.1 84.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.547 -0.72 . . . . 0.0 109.927 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.8 t -60.66 -40.7 93.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.87 -39.93 91.04 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.1 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.588 ' NH1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 mtt-85 -60.54 -40.08 90.22 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.154 -0.966 . . . . 0.0 108.824 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.12 -41.87 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.549 -0.72 . . . . 0.0 110.177 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.21 -50.0 75.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.051 -1.031 . . . . 0.0 109.364 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.04 93.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 0.0 109.891 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.0 -39.67 86.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.462 -0.774 . . . . 0.0 109.612 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 114' ' ' VAL . 88.7 m95 -88.88 -4.16 58.55 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.889 -1.132 . . . . 0.0 113.711 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 8.0 tp -76.33 -38.41 2.29 Favored Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 119.561 -1.962 . . . . 0.0 111.525 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 11.9 Cg_exo -69.27 -31.55 22.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.55 -40.0 57.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 110.324 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 110' ' ' TRP . 31.4 t -67.07 -47.41 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.845 -1.16 . . . . 0.0 108.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.91 -40.17 94.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.111 -0.993 . . . . 0.0 109.612 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.39 92.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.684 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.17 90.1 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 110.196 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.52 -42.07 91.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.9 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 99.0 mt-10 -63.2 -39.99 96.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.512 -0.742 . . . . 0.0 109.408 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.7 mmm -62.4 -40.03 95.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.844 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.6 -39.55 94.67 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.22 -0.925 . . . . 0.0 111.235 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.6 p30 -65.17 -18.64 65.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.77 -1.206 . . . . 0.0 110.867 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.53 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 59.1 tt0 -81.15 -4.04 54.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 108.974 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.26 25.16 75.13 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.617 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.33 147.59 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.261 . . . . 0.0 108.571 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.9 p -56.46 141.53 42.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.097 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -59.36 -39.98 85.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.404 -0.81 . . . . 0.0 110.264 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -58.92 -47.73 83.97 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.16 -0.962 . . . . 0.0 109.235 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -69.01 -41.9 77.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.194 -0.942 . . . . 0.0 109.498 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.459 -0.776 . . . . 0.0 110.204 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -69.29 -40.12 77.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.152 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.39 97.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.794 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.7 m -62.35 -46.44 88.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.074 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.35 -45.88 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.941 -1.099 . . . . 0.0 108.632 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.35 -33.54 73.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.525 -0.734 . . . . 0.0 109.033 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.53 -49.11 26.29 Favored Glycine 0 C--N 1.295 -1.701 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.81 -40.28 69.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.177 -1.19 . . . . 0.0 110.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.9 m-85 -99.27 137.84 37.21 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.085 -1.009 . . . . 0.0 108.843 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -84.81 61.02 6.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.835 -1.165 . . . . 0.0 109.165 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.95 160.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.474 -0.766 . . . . 0.0 109.16 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.9 t -72.65 128.38 35.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.73 91.93 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.044 -1.035 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.9 m -62.01 -40.06 94.37 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.916 -1.115 . . . . 0.0 110.362 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 57.7 m -62.81 -49.12 76.21 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.231 -0.918 . . . . 0.0 110.358 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.55 -40.15 90.52 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.327 -0.858 . . . . 0.0 110.148 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.21 -49.19 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.953 -1.092 . . . . 0.0 109.655 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.51 -41.15 93.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.156 -0.965 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -68.28 -37.27 80.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -59.89 -47.39 85.97 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -69.78 -37.5 76.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.957 -1.09 . . . . 0.0 109.954 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.976 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.99 -10.95 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.45 -1.406 . . . . 0.0 109.956 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -38.67 83.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 109.553 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -75.89 -11.51 59.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 110.241 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.86 155.92 18.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.939 -1.101 . . . . 0.0 110.164 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -52.19 149.99 4.91 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.584 0.707 . . . . 0.0 109.134 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.9 ttpp -66.49 -40.7 35.45 Favored Pre-proline 0 C--N 1.299 -1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 111.992 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 156' ' ' ALA . 97.0 Cg_endo -80.13 -21.88 7.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.713 1.609 . . . . 0.0 113.952 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 35.9 p-10 -82.12 4.88 21.47 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.545 -1.347 . . . . 0.0 108.856 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 31.5 m0 -58.65 -40.75 84.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.97 89.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.337 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -73.36 -39.98 64.76 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.352 -0.843 . . . . 0.0 109.34 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.531 -0.73 . . . . 0.0 110.686 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.22 -9.18 58.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.879 -1.138 . . . . 0.0 109.6 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.3 p -72.56 -7.86 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.989 -1.07 . . . . 0.0 108.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -80.96 149.39 29.38 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.302 -0.874 . . . . 0.0 109.522 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.72 -135.62 0.01 OUTLIER Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -79.14 166.88 21.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.269 -1.136 . . . . 0.0 108.626 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -42.71 140.88 2.09 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.46 126.98 31.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -1.144 . . . . 0.0 109.887 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 32.1 t -63.7 -41.52 98.11 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.233 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 174' ' ' ASN . 19.4 tpt180 -67.33 129.23 39.23 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -9.78 34.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 109.995 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.441 ' OD1' ' OXT' ' A' ' 174' ' ' ASN . 34.1 p-10 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.525 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.634 0.73 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.63 141.22 16.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.357 -0.839 . . . . 0.0 109.839 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 149.62 47.32 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.811 -1.181 . . . . 0.0 108.385 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.792 ' H ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -59.96 149.15 74.88 Favored Pre-proline 0 N--CA 1.485 1.283 0 C-N-CA 118.288 -1.365 . . . . 0.0 109.9 -179.101 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -70.43 150.02 63.51 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 122.763 2.309 . . . . 0.0 111.635 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.3 m -69.11 148.24 50.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -138.04 114.06 10.0 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.202 -1.561 . . . . 0.0 110.175 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -172.65 -55.11 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.088 -1.008 . . . . 0.0 110.623 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.33 111.03 22.76 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.288 -0.883 . . . . 0.0 109.927 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.637 ' NE2' ' NH1' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -175.8 114.84 0.13 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.14 -0.975 . . . . 0.0 109.033 179.456 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -70.8 -17.54 62.76 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CB ' ' A' ' 85' ' ' HIS . 52.5 p90 -93.53 147.12 23.27 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.454 0.645 . . . . 0.0 109.515 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.03 126.63 30.09 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.945 -1.102 . . . . 0.0 108.095 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.637 ' NH1' ' NE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -69.37 -38.46 78.07 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.447 -0.783 . . . . 0.0 111.007 -178.103 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.92 -39.06 84.18 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.881 -1.137 . . . . 0.0 111.644 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.8 92.46 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 120.983 -1.073 . . . . 0.0 110.728 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.24 -49.66 63.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -68.66 -29.78 68.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.689 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.4 t -60.15 -40.67 90.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.372 -1.455 . . . . 0.0 109.14 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.503 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 2.3 t-105 -60.13 -43.37 95.73 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.283 -0.886 . . . . 0.0 109.617 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.15 -39.71 83.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -80.42 -6.79 58.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.931 . . . . 0.0 109.184 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.62 153.52 42.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.093 -1.004 . . . . 0.0 109.501 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.4 p -75.88 164.82 25.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 30.4 p-10 -60.05 -40.19 88.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 93.5 p -60.03 -39.58 86.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.0 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -66.64 -40.24 88.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.264 -0.898 . . . . 0.0 111.149 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.2 mtm180 -64.52 -41.39 96.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.56 -1.338 . . . . 0.0 110.99 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.53 -37.35 77.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.643 -1.285 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.18 -46.9 88.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.904 -1.122 . . . . 0.0 108.685 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.11 94.45 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.77 -38.19 84.43 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.37 -0.831 . . . . 0.0 109.236 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.37 -37.37 80.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.162 -0.961 . . . . 0.0 111.144 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -86.71 -7.93 57.86 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.929 -1.107 . . . . 0.0 113.222 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 26.0 tp -76.82 -36.21 1.58 Allowed Pre-proline 0 N--CA 1.506 2.371 0 O-C-N 119.502 -1.998 . . . . 0.0 112.463 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.3 Cg_exo -67.69 -32.71 29.74 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.62 2.213 . . . . 0.0 112.165 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.75 60.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -0.942 . . . . 0.0 109.717 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.78 -41.97 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.958 . . . . 0.0 108.854 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.35 -43.69 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.056 -1.027 . . . . 0.0 109.685 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.91 86.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 0.0 110.563 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.4 90.35 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.185 -0.947 . . . . 0.0 110.373 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.09 -41.48 92.56 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.928 -1.107 . . . . 0.0 109.378 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.8 -45.65 88.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.208 -0.932 . . . . 0.0 109.595 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.3 mtt -64.58 -40.14 94.99 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.949 -1.094 . . . . 0.0 110.012 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.67 -36.94 84.5 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.59 -0.694 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.1 -35.92 76.28 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.11 -0.994 . . . . 0.0 110.34 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.97 -1.33 9.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.131 -0.981 . . . . 0.0 108.79 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 36.06 55.43 Favored Glycine 0 N--CA 1.493 2.451 0 O-C-N 121.352 -0.842 . . . . 0.0 111.263 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.85 145.35 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -53.09 130.04 32.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.95 -1.094 . . . . 0.0 109.518 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -54.11 -44.59 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.437 -0.789 . . . . 0.0 110.48 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -59.81 -47.63 84.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 0.0 109.045 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.5 m -66.16 -44.81 83.03 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.49 69.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.434 -0.791 . . . . 0.0 110.414 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.84 -39.34 87.58 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.927 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.61 88.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 0.0 109.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -61.77 -40.28 94.63 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.053 -1.029 . . . . 0.0 110.128 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.06 -46.81 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.5 -31.22 72.32 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.315 -0.866 . . . . 0.0 108.712 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.83 -50.82 33.03 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.54 -44.09 45.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.972 . . . . 0.0 110.073 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.2 m-85 -93.7 139.26 31.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -83.93 63.13 7.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.921 -1.112 . . . . 0.0 109.508 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.13 156.97 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.2 m -74.41 131.61 41.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.059 -1.026 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.09 84.9 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.639 0.733 . . . . 0.0 109.051 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -67.47 -42.1 83.56 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.583 -0.698 . . . . 0.0 110.474 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.7 m -65.07 -47.5 77.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.441 -1.412 . . . . 0.0 109.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.5 -42.15 95.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.886 . . . . 0.0 109.382 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.04 -50.21 74.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.148 -0.97 . . . . 0.0 110.585 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -64.25 -43.03 96.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.225 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -61.99 -39.12 91.14 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.513 -0.742 . . . . 0.0 109.701 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -58.93 -47.07 86.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.834 -1.166 . . . . 0.0 110.368 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -60.54 -39.91 89.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.998 -1.064 . . . . 0.0 110.64 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.97 -40.5 93.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 111.178 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.48 -8.46 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.022 -1.049 . . . . 0.0 110.542 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -59.48 -38.66 81.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 0.0 109.929 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.93 -3.92 44.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.613 -0.68 . . . . 0.0 109.437 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.47 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 66.1 m-85 -110.6 142.68 42.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.608 -0.682 . . . . 0.0 110.275 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.534 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.57 147.98 25.42 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.569 -0.707 . . . . 0.0 109.991 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 33.5 mmtm -60.24 -39.8 71.58 Favored Pre-proline 0 N--CA 1.502 2.152 0 O-C-N 120.818 -1.176 . . . . 0.0 111.403 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 34.5 Cg_exo -59.8 -36.65 90.55 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.271 1.981 . . . . 0.0 112.993 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 6.3 p-10 -89.06 0.4 56.73 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.639 -1.288 . . . . 0.0 111.046 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.3 m0 -59.38 -40.13 85.56 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.668 -1.27 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.09 86.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.152 . . . . 0.0 109.614 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.591 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.08 -39.91 75.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.84 . . . . 0.0 109.591 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.96 88.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.987 -1.071 . . . . 0.0 110.409 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 98.6 mt -71.04 -1.79 13.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 110.452 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 162' ' ' ALA . 7.4 p -67.3 -36.1 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.939 -1.1 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -82.36 165.72 20.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.21 -0.931 . . . . 0.0 109.701 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -176.06 19.2 0.04 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -84.07 131.17 34.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -1.159 . . . . 0.0 109.048 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -171.52 -119.83 0.53 Allowed Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.29 151.23 39.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.21 -1.17 . . . . 0.0 108.868 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.1 t -79.15 109.59 13.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 110.596 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -64.78 -39.44 93.61 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.461 ' H ' ' CD ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -90.5 144.2 26.01 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.242 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 34.8 m120 . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.516 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.7 mtp . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.571 ' O ' ' O ' ' A' ' 76' ' ' MET . 43.2 mt 52.14 129.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 CA-C-O 122.198 0.999 . . . . 0.0 110.264 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 153.44 43.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 119.726 -1.859 . . . . 0.0 108.393 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -60.0 145.41 84.75 Favored Pre-proline 0 N--CA 1.477 0.884 0 O-C-N 119.695 -1.878 . . . . 0.0 106.824 179.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -69.31 149.25 69.53 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.21 1.273 . . . . 0.0 110.884 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.503 ' C ' HD22 ' A' ' 82' ' ' LEU . 33.3 m -101.38 138.62 38.15 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.833 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.798 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.3 mm? -115.76 100.11 7.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.788 -1.195 . . . . 0.0 108.935 177.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -149.83 -108.97 0.07 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.711 -1.243 . . . . 0.0 110.109 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.55 57.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CE1' ' CG ' ' A' ' 89' ' ' ARG . 33.9 m-70 -142.62 106.23 4.65 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.35 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.96 -1.11 40.72 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -145.6 -163.72 1.79 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.19 125.04 52.92 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 121.094 -1.004 . . . . 0.0 110.394 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.541 ' H ' ' HD3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.18 -43.19 96.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.087 -1.008 . . . . 0.0 111.106 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' A' ' 94' ' ' SER . 79.8 mm-40 -60.18 -41.37 92.76 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.768 -1.208 . . . . 0.0 110.428 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.27 84.45 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.824 -1.173 . . . . 0.0 109.766 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.84 -54.92 17.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.179 -0.951 . . . . 0.0 109.929 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.003 -1.061 . . . . 0.0 111.12 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 70.7 m -60.02 -39.64 86.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.912 -1.117 . . . . 0.0 109.764 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.23 -40.36 93.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.7 -1.25 . . . . 0.0 109.365 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.5 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.29 -45.64 92.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.016 -1.053 . . . . 0.0 108.788 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 63.0 t0 -59.17 -39.78 83.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.439 -0.788 . . . . 0.0 109.496 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -85.5 -4.01 59.03 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.604 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.87 150.52 48.47 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.423 -0.798 . . . . 0.0 109.25 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.7 p -71.22 161.89 30.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.664 -1.272 . . . . 0.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.12 -40.09 88.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.954 -1.091 . . . . 0.0 110.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -59.01 -39.49 82.02 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.817 -1.177 . . . . 0.0 109.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.41 -40.36 93.29 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.059 -1.026 . . . . 0.0 109.784 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.502 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 94.5 mtt180 -67.73 -40.72 84.16 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.037 -1.039 . . . . 0.0 109.471 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' NH1' ' HG3' ' A' ' 105' ' ' ARG . 37.6 ttm-85 -63.42 -39.73 95.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.03 -43.26 95.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.326 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.61 98.26 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.941 -1.099 . . . . 0.0 109.81 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.345 -0.847 . . . . 0.0 109.268 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -67.39 -33.99 76.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.591 -0.693 . . . . 0.0 111.272 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.27 -10.47 52.3 Favored 'General case' 0 N--CA 1.516 2.852 0 O-C-N 120.645 -1.285 . . . . 0.0 113.551 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 10.1 tp -75.85 -38.64 2.59 Favored Pre-proline 0 N--CA 1.512 2.645 0 O-C-N 119.62 -1.925 . . . . 0.0 111.033 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 32.3 Cg_exo -59.14 -33.26 98.29 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.622 2.215 . . . . 0.0 112.199 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.15 -44.85 28.77 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.478 -1.389 . . . . 0.0 110.425 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.6 -42.83 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.743 -1.223 . . . . 0.0 109.043 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.28 -42.98 92.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.477 -0.764 . . . . 0.0 110.217 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.008 -1.057 . . . . 0.0 109.77 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.97 94.16 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.456 -0.778 . . . . 0.0 110.14 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 58.8 t0 -59.77 -41.51 91.24 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.109 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.56 -43.25 97.48 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.862 -1.149 . . . . 0.0 109.646 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.04 -39.83 91.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.625 -0.672 . . . . 0.0 110.62 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.43 -28.21 69.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.813 -1.179 . . . . 0.0 109.39 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.77 -27.71 68.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.983 -1.073 . . . . 0.0 109.176 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -80.22 -2.8 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.581 -0.7 . . . . 0.0 109.139 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.39 33.35 61.49 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.162 -1.018 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.97 139.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -1.034 . . . . 0.0 108.481 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.4 p -51.81 141.39 17.32 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.995 -1.066 . . . . 0.0 109.856 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -57.5 -43.26 84.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.133 -0.979 . . . . 0.0 111.091 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.95 -46.15 90.34 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.79 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -69.18 -41.24 77.46 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 120.884 -1.135 . . . . 0.0 109.241 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.55 69.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.557 -0.715 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -67.7 -39.58 84.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.222 . . . . 0.0 110.484 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.67 76.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.465 -1.397 . . . . 0.0 108.504 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.198 0.523 . . . . 0.0 110.811 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.17 -40.68 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.856 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.66 -24.53 64.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.07 -1.019 . . . . 0.0 109.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.65 -49.08 19.94 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -73.8 -41.71 61.98 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -1.101 . . . . 0.0 109.09 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.7 m-85 -98.38 133.24 43.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.517 -0.739 . . . . 0.0 109.051 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -80.47 62.2 4.48 Favored 'General case' 0 C--O 1.2 -1.524 0 O-C-N 120.893 -1.129 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.12 150.46 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.9 t -68.38 130.59 43.33 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.567 0.698 . . . . 0.0 110.038 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.86 91.72 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.152 -0.967 . . . . 0.0 110.717 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.0 m -63.27 -39.96 96.05 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.63 -0.669 . . . . 0.0 110.106 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.0 m -66.91 -49.84 64.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.491 -1.38 . . . . 0.0 110.905 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.67 -40.93 89.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.948 -1.095 . . . . 0.0 109.632 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -59.72 -49.88 76.03 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.379 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.31 -40.69 95.13 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.781 -1.2 . . . . 0.0 109.466 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.521 ' HZ1' ' CD2' ' A' ' 164' ' ' LEU . 8.4 mtpm? -69.77 -35.36 74.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 0.0 110.545 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.72 -47.58 85.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.839 -1.163 . . . . 0.0 110.391 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -70.44 -35.43 73.35 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.317 -0.864 . . . . 0.0 109.977 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.709 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.13 -9.08 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.55 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.18 -40.77 86.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.45 -10.43 59.46 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.955 -1.09 . . . . 0.0 110.155 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -102.46 142.03 34.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.182 -0.949 . . . . 0.0 109.093 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.36 145.96 49.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 14.3 mttm -52.92 -49.95 84.32 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 53.6 Cg_exo -49.65 -34.93 36.52 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.336 2.024 . . . . 0.0 113.075 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -88.13 -4.07 58.8 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -58.25 -39.66 79.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.657 -1.277 . . . . 0.0 109.933 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.05 72.84 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.873 -1.131 . . . . 0.0 109.248 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -72.96 -40.22 65.53 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.047 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.88 83.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.162 -0.961 . . . . 0.0 110.204 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' A' ' 166' ' ' ASP . 80.4 mt -72.54 -0.98 14.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.534 -0.729 . . . . 0.0 109.988 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.5 p -69.31 16.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 120.876 -1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' A' ' 164' ' ' LEU . 90.8 m-20 -84.5 139.89 31.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.876 . . . . 0.0 109.341 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -80.7 -122.94 0.52 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -83.71 124.56 30.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.669 -0.901 . . . . 0.0 110.055 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -98.84 -0.32 57.57 Favored Glycine 0 N--CA 1.506 3.324 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.57 135.91 40.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.392 -1.063 . . . . 0.0 109.736 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 85.9 p -147.35 159.52 43.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.908 -1.12 . . . . 0.0 109.567 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 42.4 mtm-85 -98.75 138.6 35.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.172 -0.955 . . . . 0.0 109.364 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -88.77 -19.3 26.19 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.839 178.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.8 mtt . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.01 -34.02 55.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.15 143.92 20.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.075 -1.016 . . . . 0.0 109.358 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -70.0 150.07 96.29 Favored Pre-proline 0 N--CA 1.502 2.127 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -69.7 150.01 68.0 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 120.623 0.882 . . . . 0.0 112.146 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -167.49 68.98 0.09 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 9.2 mp -104.02 45.84 0.94 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -111.93 -24.15 10.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.504 -0.748 . . . . 0.0 109.298 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -104.58 -32.98 8.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.651 -0.655 . . . . 0.0 110.164 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -40.8 94.91 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 -178.501 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ALA . 56.1 t0 -58.57 -30.44 67.16 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 13.9 p90 -95.06 -138.37 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 18.1 p-10 -132.72 97.07 3.95 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.07 -1.018 . . . . 0.0 110.727 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.03 -32.52 74.04 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.83 . . . . 0.0 110.553 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -58.41 -39.96 81.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.777 -1.202 . . . . 0.0 109.681 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.02 95.57 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.731 -1.231 . . . . 0.0 108.201 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.15 -49.92 75.72 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.321 0.581 . . . . 0.0 109.88 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -64.42 -32.95 74.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -59.91 -39.33 85.05 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.805 -1.184 . . . . 0.0 107.923 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.178 -0.951 . . . . 0.0 108.91 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.455 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.6 t-105 -60.4 -49.32 78.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.006 -1.059 . . . . 0.0 109.529 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -58.18 -38.93 77.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.384 -0.823 . . . . 0.0 110.009 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -81.67 -3.38 53.4 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.92 -1.113 . . . . 0.0 109.317 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.47 154.32 42.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.49 -0.756 . . . . 0.0 109.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 p -73.22 160.26 32.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.271 -0.893 . . . . 0.0 109.915 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.26 -40.01 88.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.744 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.5 t -60.01 -40.01 87.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 110.079 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.02 -40.52 95.98 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.147 -0.971 . . . . 0.0 110.354 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -66.05 -39.97 90.55 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.319 -0.863 . . . . 0.0 109.622 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.3 -39.92 88.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 110.605 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.19 -50.28 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.084 -1.01 . . . . 0.0 109.117 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.27 96.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.0 109.797 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.367 0.603 . . . . 0.0 109.489 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.24 -39.35 86.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 111.298 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -85.82 -8.99 57.75 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.934 -1.104 . . . . 0.0 113.584 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 23.7 tp -74.76 -36.94 2.57 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 119.461 -2.025 . . . . 0.0 112.293 -177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.1 Cg_exo -64.03 -32.57 64.53 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.146 1.897 . . . . 0.0 112.388 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.61 53.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.38 -0.825 . . . . 0.0 110.485 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -44.58 79.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.121 -0.987 . . . . 0.0 110.199 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -65.17 -42.23 93.87 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.784 -1.197 . . . . 0.0 110.37 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.49 90.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.141 -0.974 . . . . 0.0 109.975 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.65 94.65 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -59.91 -44.16 94.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.738 . . . . 0.0 109.439 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.05 -40.77 94.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.115 -0.991 . . . . 0.0 109.252 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.31 -40.14 89.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.324 -0.86 . . . . 0.0 109.738 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.53 -30.71 70.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.618 -0.676 . . . . 0.0 109.705 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.52 -40.16 90.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -73.46 -3.06 25.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.87 -1.144 . . . . 0.0 108.573 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.81 41.41 42.02 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.234 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 79.7 mt -78.6 145.04 10.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.026 -1.279 . . . . 0.0 108.808 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -51.01 138.18 19.96 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.032 -1.042 . . . . 0.0 110.005 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 p -58.8 -46.0 88.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.572 -0.705 . . . . 0.0 110.466 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -60.03 -47.81 84.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.919 -1.113 . . . . 0.0 109.272 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.8 m -66.51 -43.81 84.26 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.335 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.65 80.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.332 -0.855 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.6 -40.08 80.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.646 -1.284 . . . . 0.0 109.168 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.76 92.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.124 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.7 m -62.55 -44.99 94.98 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.835 -1.165 . . . . 0.0 109.5 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.62 -42.96 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.238 -0.914 . . . . 0.0 109.207 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.37 -30.4 70.78 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.554 -1.341 . . . . 0.0 109.198 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.04 10.96 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.56 -41.75 83.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.693 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 135' ' ' ALA . 93.5 m-85 -101.86 132.75 47.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.282 -0.886 . . . . 0.0 109.36 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -81.93 66.63 7.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.746 -1.221 . . . . 0.0 108.907 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.07 155.31 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.788 -0.57 . . . . 0.0 109.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t -70.34 130.0 40.8 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.187 -0.946 . . . . 0.0 109.24 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.317 -0.865 . . . . 0.0 108.942 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.4 t -64.41 -40.87 96.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.2 m -65.78 -46.59 78.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.521 -1.362 . . . . 0.0 108.576 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.07 -40.87 91.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 146' ' ' ARG . 28.5 ttt-85 -60.08 -50.63 72.96 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.201 -0.937 . . . . 0.0 110.49 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -59.97 -42.14 93.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.902 -1.124 . . . . 0.0 110.47 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.98 -34.28 76.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 110.259 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.94 -48.7 80.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.865 -1.147 . . . . 0.0 110.473 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -69.96 -35.15 74.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.908 -1.12 . . . . 0.0 110.478 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.803 -1.186 . . . . 0.0 110.604 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.38 -15.5 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.801 -1.187 . . . . 0.0 110.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.377 -0.827 . . . . 0.0 109.755 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.04 -4.04 42.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.001 -1.062 . . . . 0.0 110.099 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.65 152.54 24.67 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -60.45 140.34 57.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.285 -0.884 . . . . 0.0 108.781 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -57.91 -40.82 86.44 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.9 -1.125 . . . . 0.0 110.7 -178.096 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.3 Cg_exo -62.43 -30.19 79.96 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.116 1.877 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -88.8 -0.82 57.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.199 -0.938 . . . . 0.0 110.628 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -57.47 -39.35 76.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.139 -0.976 . . . . 0.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.01 84.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.69 -1.256 . . . . 0.0 109.536 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.68 -39.29 52.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.61 80.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 0.0 110.473 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.67 -39.45 91.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.823 -1.173 . . . . 0.0 109.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.45 -40.08 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.745 -1.222 . . . . 0.0 110.36 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -86.13 109.95 19.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.953 -1.092 . . . . 0.0 109.267 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -87.74 112.61 3.88 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -86.87 121.46 29.38 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -1.109 . . . . 0.0 108.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -88.16 -138.28 6.04 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.13 109.94 12.66 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.535 -0.979 . . . . 0.0 108.783 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 80.0 p -75.87 -39.73 55.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.677 -0.64 . . . . 0.0 110.148 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -99.26 131.41 45.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.249 -0.907 . . . . 0.0 108.647 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -96.68 118.88 34.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.294 -0.879 . . . . 0.0 109.452 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.085 -1.009 . . . . 0.0 109.509 179.339 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.499 HD12 ' CZ2' ' A' ' 96' ' ' TRP . 79.9 mt -59.97 -37.91 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.841 -1.162 . . . . 0.0 110.311 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.23 134.6 44.35 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.864 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -66.77 145.38 98.92 Favored Pre-proline 0 C--N 1.296 -1.738 0 O-C-N 120.772 -1.205 . . . . 0.0 107.953 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -60.04 -30.0 90.54 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 CA-C-N 120.926 1.366 . . . . 0.0 109.545 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.2 m -71.36 149.53 45.93 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' NE2' ' A' ' 85' ' ' HIS . 51.0 mt -136.11 92.64 2.81 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -155.28 -30.33 0.1 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.218 -0.926 . . . . 0.0 110.205 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.33 -14.04 10.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.876 -1.14 . . . . 0.0 109.137 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' NE2' HD23 ' A' ' 82' ' ' LEU . 1.7 p-80 -121.53 138.71 54.18 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -89.35 10.03 23.94 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 6.4 p90 -134.3 87.11 2.33 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 12.1 p-10 -85.42 99.1 10.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.702 -1.249 . . . . 0.0 109.288 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -90.79 103.04 15.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.39 -39.97 81.51 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.54 98.68 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.16 0.505 . . . . 0.0 110.676 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.97 -55.6 31.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.805 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.0 -34.54 73.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.1 m -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.854 -1.154 . . . . 0.0 109.623 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.57 -40.07 94.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 108.982 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.499 ' CZ2' HD12 ' A' ' 77' ' ' ILE . 5.2 t-105 -60.06 -47.31 86.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.72 . . . . 0.0 110.07 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -58.94 -40.02 83.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.995 -1.066 . . . . 0.0 108.946 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.01 -0.21 57.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.396 -0.815 . . . . 0.0 110.392 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.45 155.8 24.52 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.839 -1.163 . . . . 0.0 109.226 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 158.33 35.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.98 -1.075 . . . . 0.0 108.965 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -59.91 -39.98 87.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.39 -0.819 . . . . 0.0 110.082 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.9 p -59.96 -39.84 86.99 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.96 -42.1 97.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.435 -0.791 . . . . 0.0 110.742 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.411 ' CZ ' ' CB ' ' A' ' 104' ' ' ARG . 7.8 mtm-85 -65.17 -40.08 93.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.547 -1.345 . . . . 0.0 109.097 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -65.46 -39.74 92.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.93 -49.17 78.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 108.99 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.97 90.78 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.318 -0.864 . . . . 0.0 108.759 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.78 -40.09 91.28 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.613 -0.679 . . . . 0.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -68.28 -40.04 81.94 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.079 -1.013 . . . . 0.0 111.398 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -81.96 -8.93 59.7 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.8 tp -73.48 -49.08 6.8 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 120.798 -1.189 . . . . 0.0 111.747 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 46.3 Cg_endo -66.38 -26.08 48.44 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 CA-C-N 120.961 1.379 . . . . 0.0 112.639 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.38 -44.51 29.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.741 -1.225 . . . . 0.0 109.706 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -40.56 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.09 84.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.75 87.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.85 -43.4 94.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.112 -0.993 . . . . 0.0 109.122 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 85.9 tt0 -60.18 -41.55 93.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.058 -1.026 . . . . 0.0 110.068 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.6 mtp -72.76 -39.99 66.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.634 -1.291 . . . . 0.0 111.809 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.82 -40.01 96.06 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.001 -1.062 . . . . 0.0 111.051 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 5.5 p-10 -70.34 -12.65 61.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.8 -1.188 . . . . 0.0 109.328 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.5 0.27 50.39 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.099 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.49 24.21 76.64 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.0 mt -76.15 140.18 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.059 -1.26 . . . . 0.0 107.688 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -57.02 139.19 53.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.86 -1.15 . . . . 0.0 109.595 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -56.0 -42.27 76.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.328 -0.858 . . . . 0.0 110.218 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -59.87 -43.21 94.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.958 -1.089 . . . . 0.0 109.531 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -69.99 -44.29 69.68 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.817 -1.177 . . . . 0.0 109.761 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.66 76.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.22 -0.925 . . . . 0.0 110.388 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -68.22 -40.25 82.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.952 -1.093 . . . . 0.0 109.734 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.89 87.97 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.145 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 57.7 m -61.9 -45.65 92.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 0.0 109.716 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.17 -49.11 82.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.866 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.81 -35.94 79.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.449 -0.782 . . . . 0.0 109.325 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.21 -48.15 40.5 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.71 -41.6 71.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.962 -1.316 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.3 m-85 -101.0 136.29 41.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.453 -0.779 . . . . 0.0 109.499 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -82.49 65.19 7.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.733 -1.229 . . . . 0.0 108.949 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.04 159.88 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.305 -0.872 . . . . 0.0 109.441 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -72.64 129.1 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.052 -1.03 . . . . 0.0 109.882 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.04 87.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 t -67.65 -40.33 84.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.129 -0.982 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 60.2 m -61.04 -48.97 79.31 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.125 -0.985 . . . . 0.0 110.51 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.25 -41.41 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.269 -0.894 . . . . 0.0 110.375 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -59.92 -51.13 70.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 110.344 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.08 -40.14 92.56 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.808 -1.182 . . . . 0.0 111.059 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -68.61 -36.8 79.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.262 -0.899 . . . . 0.0 111.264 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.98 -47.73 84.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.772 -1.205 . . . . 0.0 109.335 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -61.1 -39.83 91.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.849 -1.157 . . . . 0.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.0 -40.13 88.14 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.887 -1.133 . . . . 0.0 111.049 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.72 -12.94 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.665 -1.272 . . . . 0.0 111.047 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -59.87 -33.26 71.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.112 . . . . 0.0 109.876 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.22 -24.53 61.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.943 . . . . 0.0 109.884 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -104.79 152.66 22.3 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.221 -0.924 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.9 45.89 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.402 -0.811 . . . . 0.0 110.519 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -49.46 -61.18 3.74 Favored Pre-proline 0 N--CA 1.487 1.42 0 O-C-N 121.625 -0.672 . . . . 0.0 110.783 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -30.45 -42.52 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.662 2.241 . . . . 0.0 114.46 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -88.87 0.42 56.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.749 -1.22 . . . . 0.0 111.271 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -57.8 -39.55 77.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.071 -1.018 . . . . 0.0 109.035 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.41 76.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.237 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.58 -38.26 48.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 110.345 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.21 80.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.195 -0.941 . . . . 0.0 110.458 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.57 -23.98 64.55 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.325 -0.86 . . . . 0.0 109.905 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.89 -41.31 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 109.905 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -94.32 131.05 40.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.057 -1.027 . . . . 0.0 110.203 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -95.01 -165.69 35.54 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -81.68 -9.51 59.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.193 -1.181 . . . . 0.0 108.774 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -152.3 133.9 4.31 Favored Glycine 0 N--CA 1.494 2.567 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -82.66 117.67 22.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.156 -1.202 . . . . 0.0 110.382 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 92.2 p -142.02 150.28 41.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.192 -0.942 . . . . 0.0 109.152 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -153.22 120.85 5.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 109.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.26 -11.91 31.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 109.026 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.121 -0.987 . . . . 0.0 108.667 179.309 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.27 141.68 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 121.202 -0.937 . . . . 0.0 110.111 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.05 -121.03 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -70.03 149.98 96.26 Favored Pre-proline 0 N--CA 1.491 1.579 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -178.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -69.72 149.04 66.64 Favored 'Trans proline' 0 N--CA 1.488 1.158 0 CA-C-O 122.466 0.944 . . . . 0.0 113.745 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 81' ' ' THR . 19.0 m -82.71 -11.46 58.31 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.608 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.702 ' N ' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -92.9 147.95 22.42 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 122.383 1.087 . . . . 0.0 112.92 -176.053 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 85.8 tt0 -120.03 137.26 54.2 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.88 103.16 0.07 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.126 -0.983 . . . . 0.0 110.078 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -117.61 -93.29 0.51 Allowed 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.59 -13.44 59.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.325 -0.859 . . . . 0.0 110.292 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -153.83 164.49 38.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 109.277 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 88' ' ' ASP . 41.3 p-10 -86.28 115.68 23.97 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.782 -1.199 . . . . 0.0 109.634 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.92 -22.06 63.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.451 -0.781 . . . . 0.0 110.103 179.511 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.8 mm-40 -60.04 -39.97 87.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.545 -1.347 . . . . 0.0 109.861 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.62 98.91 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.487 -1.383 . . . . 0.0 109.905 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.53 -57.54 5.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.904 -1.123 . . . . 0.0 110.652 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -68.75 -27.27 65.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 27.3 t -59.96 -40.21 88.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.228 -1.545 . . . . 0.0 108.914 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -61.13 -40.24 93.06 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.918 -1.114 . . . . 0.0 108.251 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 3.0 t-105 -62.37 -44.63 96.02 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.698 -0.626 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 47.7 t0 -59.44 -39.75 84.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.027 -1.046 . . . . 0.0 109.194 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -81.83 -4.95 57.71 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 109.893 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.09 156.17 38.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.579 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -71.37 154.39 41.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.024 -1.047 . . . . 0.0 109.759 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.9 p-10 -58.56 -40.44 83.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 109.59 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.568 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 24.1 t -60.51 -40.79 92.66 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.893 -1.129 . . . . 0.0 110.509 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -65.26 -41.02 94.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.8 mtm180 -66.33 -40.22 89.74 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.625 -1.297 . . . . 0.0 109.612 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 105' ' ' ARG . 56.5 mtt-85 -64.22 -39.66 94.43 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.474 -0.767 . . . . 0.0 109.27 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.375 0.607 . . . . 0.0 110.199 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.63 90.42 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.883 -1.136 . . . . 0.0 109.019 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -40.15 88.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.743 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.32 -39.27 92.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.082 . . . . 0.0 110.006 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 114' ' ' VAL . 69.5 m95 -84.1 -8.0 59.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.715 -0.615 . . . . 0.0 111.81 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 16.7 tp -73.58 -44.57 7.24 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.323 -1.485 . . . . 0.0 112.06 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.4 Cg_endo -68.6 -27.37 32.7 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 121.273 1.315 . . . . 0.0 113.542 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -39.91 59.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.909 -1.119 . . . . 0.0 109.707 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.2 t -69.42 -40.54 80.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.97 -1.082 . . . . 0.0 108.704 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -67.52 -41.5 84.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.308 -0.87 . . . . 0.0 108.804 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.68 97.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.337 -0.852 . . . . 0.0 110.092 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.63 93.67 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 0.0 110.329 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.34 -41.5 89.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.887 -1.133 . . . . 0.0 109.169 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.1 -39.73 93.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.646 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.8 mmt -64.62 -40.41 95.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.788 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.05 -39.7 93.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.751 -1.218 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.81 -20.72 63.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.093 -1.005 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -78.46 -4.02 46.34 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.07 20.02 77.63 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.552 -1.309 . . . . 0.0 110.883 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.5 mt -77.7 140.92 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.998 -1.295 . . . . 0.0 108.436 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 m -51.2 141.18 15.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.475 -0.765 . . . . 0.0 109.971 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -57.33 -43.88 83.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.238 -0.913 . . . . 0.0 110.043 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.06 -46.97 86.9 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.069 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 91.0 m -67.88 -40.66 83.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.781 -1.199 . . . . 0.0 108.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.36 58.86 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.127 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -70.07 -40.23 75.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.6 93.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.828 -0.545 . . . . 0.0 109.582 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.2 m -62.27 -42.3 99.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.038 -1.039 . . . . 0.0 109.473 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.47 -49.33 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.407 -0.808 . . . . 0.0 109.212 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.3 65.95 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.172 -0.955 . . . . 0.0 108.581 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.94 -43.49 57.83 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 107.799 -2.12 . . . . 0.0 107.799 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -80.01 -52.22 8.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.188 -1.183 . . . . 0.0 109.318 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -91.28 131.11 37.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.584 -0.697 . . . . 0.0 109.341 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -83.73 68.86 10.05 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.742 -1.224 . . . . 0.0 109.364 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -131.17 160.12 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.457 -0.777 . . . . 0.0 109.049 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.3 t -71.42 129.52 39.01 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.276 -0.89 . . . . 0.0 109.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.85 97.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 110.125 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.1 m -60.88 -40.07 91.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 110.227 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.38 -46.87 78.4 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.17 -45.22 93.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.473 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -60.07 -48.22 82.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.372 -0.83 . . . . 0.0 111.104 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 52.1 t0 -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.927 -1.108 . . . . 0.0 110.101 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -69.27 -35.77 76.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.629 -1.294 . . . . 0.0 111.191 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.419 ' O ' HG22 ' A' ' 152' ' ' VAL . 36.1 t80 -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.723 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.403 ' O ' ' CG ' ' A' ' 153' ' ' GLN . 47.0 m-85 -62.46 -38.86 91.42 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.241 -0.912 . . . . 0.0 109.769 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.77 -39.69 85.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.049 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 149' ' ' TYR . 24.9 m -77.45 -10.3 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.524 -1.36 . . . . 0.0 110.857 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 150' ' ' TYR . 0.9 OUTLIER -57.84 -28.91 64.54 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.894 -1.129 . . . . 0.0 110.436 -179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.36 -9.48 59.6 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.178 -0.951 . . . . 0.0 109.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -111.08 142.65 42.96 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.28 -0.887 . . . . 0.0 110.372 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -55.89 144.16 29.11 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 24.1 mmtm -50.13 -42.87 74.79 Favored Pre-proline 0 N--CA 1.506 2.342 0 O-C-N 120.917 -1.115 . . . . 0.0 111.055 -177.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 15.7 Cg_exo -69.02 -26.56 30.94 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.441 2.094 . . . . 0.0 112.234 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -87.28 -5.78 58.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.045 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -52.94 -24.32 9.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.164 -0.96 . . . . 0.0 109.617 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.16 90.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.827 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.69 -30.4 59.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 109.425 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.588 -0.695 . . . . 0.0 110.006 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.97 -38.72 86.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.88 -1.138 . . . . 0.0 109.879 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.06 -39.77 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.312 -0.868 . . . . 0.0 109.967 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -86.96 129.39 34.9 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.167 -0.958 . . . . 0.0 109.086 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -153.52 80.24 0.19 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' A' ' 168' ' ' ARG . 30.5 mtt-85 -84.24 139.93 32.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.476 -1.014 . . . . 0.0 109.329 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -154.3 -100.26 0.18 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -77.06 142.53 39.8 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.4 -1.059 . . . . 0.0 110.104 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 25.6 m -82.02 117.45 22.23 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.526 -0.734 . . . . 0.0 109.235 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -156.85 162.5 39.69 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.667 -0.646 . . . . 0.0 109.608 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -90.75 140.59 29.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.166 -0.959 . . . . 0.0 109.092 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.167 -179.733 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 ttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.25 140.27 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 109.224 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.84 -99.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -163.7 63.62 1.22 Allowed Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 120.953 -1.092 . . . . 0.0 109.887 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.41 ' O ' HD23 ' A' ' 82' ' ' LEU . 24.0 Cg_endo -69.98 150.07 66.36 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 121.617 1.544 . . . . 0.0 108.914 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -62.97 140.65 58.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.825 -1.172 . . . . 0.0 111.699 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.564 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -152.37 117.7 5.27 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.559 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 97.2 mt-10 -93.17 142.09 27.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.802 -1.186 . . . . 0.0 108.972 -178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 134.22 56.83 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.829 -1.169 . . . . 0.0 108.984 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.683 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -172.21 -90.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.47 -178.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.601 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 46.6 t0 -61.87 -40.01 93.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.276 -0.89 . . . . 0.0 109.877 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -137.26 160.56 38.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.272 -0.893 . . . . 0.0 109.245 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -92.33 126.0 37.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 108.69 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -59.89 -44.09 94.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.176 -0.952 . . . . 0.0 110.05 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 96.2 mt-10 -60.53 -50.39 73.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.153 -0.967 . . . . 0.0 110.751 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.32 98.2 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.747 -1.22 . . . . 0.0 111.198 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.01 -59.96 2.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.946 -1.096 . . . . 0.0 110.887 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -67.92 -30.3 69.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 111.042 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 46.9 t -60.0 -40.35 88.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.271 -1.518 . . . . 0.0 108.541 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.44 -41.78 94.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.929 -1.107 . . . . 0.0 108.566 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CE3' ' NH1' ' A' ' 104' ' ' ARG . 2.9 t-105 -64.07 -45.45 88.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.844 0.831 . . . . 0.0 109.114 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.08 -39.34 85.72 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 109.001 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.67 -0.06 56.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.896 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.54 160.75 32.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 109.693 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.7 t -70.07 146.25 51.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.144 -0.973 . . . . 0.0 109.348 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.0 -40.72 90.2 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.198 -0.938 . . . . 0.0 110.739 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.9 p -60.06 -39.87 87.47 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 109.815 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' HB3' HH21 ' A' ' 104' ' ' ARG . 23.2 mm100 -61.07 -36.89 80.83 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.654 ' N ' ' HE ' ' A' ' 104' ' ' ARG . 2.7 mmp_? -59.91 -43.07 95.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.142 -0.974 . . . . 0.0 109.199 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -60.6 -41.71 95.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.942 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.98 -49.12 78.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 109.171 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.85 95.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.96 -1.088 . . . . 0.0 108.95 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.66 -40.15 90.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.909 . . . . 0.0 109.963 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.06 -39.92 96.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 111.09 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.479 ' CE3' ' CE ' ' A' ' 148' ' ' LYS . 66.4 m95 -80.79 -9.95 59.77 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.15 -0.969 . . . . 0.0 111.434 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 13.5 tp -72.51 -46.25 9.96 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.415 -1.428 . . . . 0.0 112.232 -178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 33.7 Cg_endo -62.72 -25.13 74.89 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 CA-C-N 120.864 1.344 . . . . 0.0 112.72 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.6 -40.05 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.826 -1.171 . . . . 0.0 110.831 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 110' ' ' TRP . 40.9 t -68.87 -47.77 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.061 . . . . 0.0 109.58 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -68.9 -39.92 79.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.882 -1.136 . . . . 0.0 109.737 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.39 95.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.6 91.39 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.528 -0.733 . . . . 0.0 109.208 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.91 -45.83 91.3 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.36 -0.837 . . . . 0.0 109.403 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.7 mt-10 -62.36 -39.97 94.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.7 mtt -70.11 -39.99 75.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.912 . . . . 0.0 110.955 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.89 -39.97 96.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.27 -0.894 . . . . 0.0 110.911 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 44.3 p30 -65.65 -19.72 66.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 110.142 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.548 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 29.6 tt0 -76.77 4.5 9.52 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.776 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 20.75 79.94 Favored Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.159 -0.963 . . . . 0.0 111.276 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -76.92 145.76 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.852 -1.381 . . . . 0.0 109.379 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -59.88 142.36 53.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 p -58.46 -44.87 89.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.99 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -59.98 -45.07 93.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.915 -1.116 . . . . 0.0 109.826 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.2 m -66.12 -44.44 84.24 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.788 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.89 66.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.64 -0.662 . . . . 0.0 110.314 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -66.1 -39.96 90.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.041 -1.037 . . . . 0.0 109.583 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.045 -1.035 . . . . 0.0 109.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.8 m -64.63 -42.42 95.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.035 -1.041 . . . . 0.0 110.07 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.69 -45.51 98.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.192 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.08 -28.64 68.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.209 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.27 -50.1 23.35 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -73.6 -41.76 62.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.004 -1.292 . . . . 0.0 109.076 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.3 m-85 -99.33 134.18 42.57 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.211 -0.931 . . . . 0.0 109.633 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -84.23 63.67 7.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.946 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.24 159.03 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.558 -0.714 . . . . 0.0 109.218 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 m -72.82 129.61 38.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.482 -0.761 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.41 -0.806 . . . . 0.0 109.698 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.5 m -60.73 -40.14 91.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.066 -1.021 . . . . 0.0 110.363 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 m -66.17 -44.56 83.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.104 -0.998 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -40.44 88.83 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.296 -0.878 . . . . 0.0 110.198 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -60.06 -47.32 86.37 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.743 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -60.05 -41.21 91.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.805 -1.184 . . . . 0.0 110.9 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.479 ' CE ' ' CE3' ' A' ' 110' ' ' TRP . 15.7 mtmm -69.92 -38.39 76.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 111.796 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -59.83 -41.63 91.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.788 -1.195 . . . . 0.0 110.651 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -71.35 -37.92 71.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.728 -1.233 . . . . 0.0 109.155 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -40.6 95.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.561 -0.712 . . . . 0.0 110.994 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -80.74 -12.0 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.315 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.67 -38.8 82.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.159 -0.963 . . . . 0.0 109.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -77.5 -9.22 58.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.002 -1.061 . . . . 0.0 109.907 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.48 152.63 22.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.136 -0.977 . . . . 0.0 110.269 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.91 139.13 57.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.547 -0.721 . . . . 0.0 109.512 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.3 ttpt -52.44 -46.63 94.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.321 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 37.3 Cg_exo -59.75 -36.85 90.31 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.175 1.917 . . . . 0.0 113.094 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.44 0.8 27.89 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.029 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -58.06 -39.89 79.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.964 -1.085 . . . . 0.0 109.184 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.96 73.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.925 -1.109 . . . . 0.0 109.581 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -75.92 -31.04 58.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.275 -0.891 . . . . 0.0 109.89 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.37 71.29 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.431 -0.793 . . . . 0.0 110.761 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.41 -9.33 58.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 110.95 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 162' ' ' ALA . 11.0 m -69.73 -31.43 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.801 -1.187 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -84.21 159.16 21.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.436 -0.79 . . . . 0.0 109.608 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -169.67 171.34 43.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 168' ' ' ARG . 5.2 mmt-85 -83.7 -11.22 57.48 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.887 -1.361 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.69 99.18 0.13 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.64 52.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.273 . . . . 0.0 109.099 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 29.0 t -154.13 81.56 1.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.799 . . . . 0.0 109.149 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -66.13 -50.9 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.443 -0.786 . . . . 0.0 109.941 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -154.1 -54.93 0.1 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.056 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.428 0.632 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.3 mm -60.14 140.04 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.421 -0.8 . . . . 0.0 110.456 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.36 148.2 47.25 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' A' ' 79' ' ' ARG . 1.7 mmt180 -60.02 147.01 81.21 Favored Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 117.158 -1.817 . . . . 0.0 107.589 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.21 146.83 95.51 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.136 1.224 . . . . 0.0 113.98 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -66.54 149.02 51.07 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 85' ' ' HIS . 97.3 mt -142.19 35.59 1.53 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.997 -1.064 . . . . 0.0 110.229 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -158.78 -36.13 0.06 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.914 -1.117 . . . . 0.0 111.46 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.68 87.28 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.938 -1.101 . . . . 0.0 111.789 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' NE2' ' HA ' ' A' ' 82' ' ' LEU . 3.9 p80 -71.82 147.66 46.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.617 -0.677 . . . . 0.0 111.2 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -105.12 2.46 29.35 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -108.17 166.27 10.87 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.513 -0.742 . . . . 0.0 109.362 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -69.69 67.33 0.24 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.973 -1.079 . . . . 0.0 110.687 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -65.45 -34.11 77.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 0.0 109.437 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.96 -37.67 74.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.65 84.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.987 -1.071 . . . . 0.0 109.428 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.82 -49.94 75.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.323 -0.86 . . . . 0.0 108.915 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -68.18 -27.29 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 0.0 109.43 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -58.4 -40.0 81.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 118.627 -1.229 . . . . 0.0 107.796 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -63.14 -41.39 99.28 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.05 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -60.25 -46.21 90.59 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.92 . . . . 0.0 109.096 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.537 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -87.53 -5.51 58.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.733 . . . . 0.0 109.935 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.23 148.27 51.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 109.872 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 166.92 22.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.551 -0.718 . . . . 0.0 109.442 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -59.95 -39.38 85.4 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.467 -0.771 . . . . 0.0 111.709 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.158 -0.964 . . . . 0.0 110.778 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.561 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 23.0 mp0 -67.17 -40.24 86.58 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.841 -1.162 . . . . 0.0 110.005 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -66.4 -40.21 89.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 0.0 109.46 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.21 -40.66 82.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.098 -1.001 . . . . 0.0 109.23 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 tp -66.99 -50.41 62.33 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.05 -1.031 . . . . 0.0 109.602 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.82 92.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.057 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.62 -40.52 97.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.548 -0.72 . . . . 0.0 110.468 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.0 -38.97 83.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.43 -0.794 . . . . 0.0 110.251 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.401 ' O ' HG23 ' A' ' 114' ' ' VAL . 50.3 m95 -81.17 -9.2 59.83 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.284 -0.885 . . . . 0.0 111.743 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 15.4 tp -75.81 -46.53 4.0 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 120.359 -1.463 . . . . 0.0 111.879 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 51.1 Cg_endo -66.19 -24.29 51.6 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 CA-C-N 120.805 1.323 . . . . 0.0 111.648 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.1 59.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.03 -1.044 . . . . 0.0 110.018 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.1 -40.16 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.856 -1.153 . . . . 0.0 109.486 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.22 -40.57 86.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.577 -0.702 . . . . 0.0 110.479 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 120' ' ' MET . . . -61.79 -40.04 93.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.315 -0.865 . . . . 0.0 109.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.01 92.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.27 -40.26 85.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.02 -1.05 . . . . 0.0 110.128 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.481 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.8 mt-10 -61.61 -49.82 75.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.809 -1.182 . . . . 0.0 110.251 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -71.62 -40.38 69.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.791 -1.193 . . . . 0.0 111.84 -179.25 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.47 -39.79 95.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.778 -1.201 . . . . 0.0 111.821 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 49.5 p30 -69.93 -17.25 63.32 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.667 -1.271 . . . . 0.0 109.318 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.509 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 42.7 tp60 -80.92 -2.49 47.82 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.561 -0.712 . . . . 0.0 109.621 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.2 79.63 Favored Glycine 0 N--CA 1.493 2.471 0 O-C-N 120.737 -1.227 . . . . 0.0 110.857 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.62 151.38 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.954 -1.321 . . . . 0.0 108.512 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -49.77 134.79 20.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 109.404 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -59.29 -42.98 92.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -0.874 . . . . 0.0 109.945 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -59.97 -43.23 95.2 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.42 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m -69.41 -42.1 75.52 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.812 -1.18 . . . . 0.0 109.014 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.07 69.51 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.507 -0.745 . . . . 0.0 109.231 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.403 -0.81 . . . . 0.0 109.04 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.4 m -62.51 -41.47 98.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.92 -1.113 . . . . 0.0 109.198 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.16 -47.94 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.192 -0.942 . . . . 0.0 109.316 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -62.62 -36.43 82.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.583 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.8 -49.18 37.36 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -69.51 -40.72 76.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.891 -1.358 . . . . 0.0 109.734 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.503 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.2 m-85 -106.65 135.64 47.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.439 -0.788 . . . . 0.0 109.535 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.33 63.12 4.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.907 -1.121 . . . . 0.0 109.609 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.67 153.87 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.1 m -73.89 127.99 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.315 -0.865 . . . . 0.0 110.63 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.04 88.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.559 -0.713 . . . . 0.0 110.486 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 95.2 p -63.95 -40.84 97.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.95 -1.094 . . . . 0.0 110.402 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.4 m -67.69 -43.98 78.83 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.14 -0.975 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.06 -39.77 87.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.252 -0.905 . . . . 0.0 109.931 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -58.58 -48.61 80.38 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.151 -0.968 . . . . 0.0 109.626 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.32 -42.48 95.67 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.863 -1.148 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.34 -34.72 75.05 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.81 -1.181 . . . . 0.0 111.067 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -60.08 -48.88 79.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.293 -0.88 . . . . 0.0 110.368 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.48 -38.15 77.57 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.127 -0.983 . . . . 0.0 109.115 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -60.33 -39.83 88.48 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.21 -0.931 . . . . 0.0 111.665 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.2 -12.33 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 120.296 -1.502 . . . . 0.0 111.649 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.37 -32.01 69.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.113 -0.992 . . . . 0.0 109.567 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -79.24 -10.32 59.79 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.019 -1.051 . . . . 0.0 109.761 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -107.33 150.61 26.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.95 -1.094 . . . . 0.0 110.018 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 139.35 57.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.636 -0.665 . . . . 0.0 110.04 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 15.4 mtmm -52.59 -50.96 77.61 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.221 -0.924 . . . . 0.0 111.87 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -59.44 -22.97 68.51 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.407 1.404 . . . . 0.0 112.684 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -87.82 -1.2 57.82 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.759 -1.213 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.01 -40.28 88.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.232 -0.917 . . . . 0.0 109.84 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.49 93.13 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.984 -1.072 . . . . 0.0 110.634 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -31.58 59.43 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 109.554 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.71 85.39 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.092 -1.005 . . . . 0.0 109.649 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.68 -9.03 58.18 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.022 -1.049 . . . . 0.0 110.687 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.33 -45.96 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.808 -1.182 . . . . 0.0 109.261 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -90.79 114.7 27.14 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.395 -0.816 . . . . 0.0 109.158 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -77.49 123.95 6.67 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.1 -8.8 57.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.835 -1.391 . . . . 0.0 109.461 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.8 60.55 Favored Glycine 0 N--CA 1.484 1.854 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -76.9 138.23 39.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.414 -1.051 . . . . 0.0 110.147 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.5 p -83.82 156.25 22.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 172' ' ' ARG . 44.6 ttt-85 -103.74 128.41 51.12 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.181 -0.95 . . . . 0.0 108.592 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -136.48 27.3 3.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.289 -0.882 . . . . 0.0 109.631 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.9 m120 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.267 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.6 mtm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.37 139.21 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.576 -1.327 . . . . 0.0 109.582 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.12 -90.06 0.07 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.542 -0.724 . . . . 0.0 109.813 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -168.93 70.67 0.73 Allowed Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.859 -1.151 . . . . 0.0 110.454 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' O ' HD23 ' A' ' 82' ' ' LEU . 35.2 Cg_exo -59.95 149.63 82.9 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.77 1.646 . . . . 0.0 112.362 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.7 m -69.53 149.7 47.94 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.594 -0.691 . . . . 0.0 109.255 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -142.7 112.91 7.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.29 -0.881 . . . . 0.0 109.493 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.593 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 17.3 pt-20 -144.5 -30.36 0.46 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' C ' ' CG ' ' A' ' 85' ' ' HIS . . . -98.91 101.62 13.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.994 -1.066 . . . . 0.0 110.643 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' NE2' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -176.45 126.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.3 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.22 -18.02 61.87 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 14.7 p90 -103.66 139.95 38.24 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 91' ' ' ALA . 38.1 p-10 -77.34 113.81 15.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.133 -0.979 . . . . 0.0 110.834 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.36 -31.1 69.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.722 -0.611 . . . . 0.0 110.451 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 94' ' ' SER . 71.3 mm-40 -59.9 -40.01 87.3 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.596 -1.315 . . . . 0.0 109.595 -178.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 88' ' ' ASP . . . -60.61 -44.77 95.92 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.791 -1.164 . . . . 0.0 108.409 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.3 -50.94 69.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.135 -0.978 . . . . 0.0 108.864 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.42 -28.68 65.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 110.499 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 90' ' ' GLU . 58.5 m -59.56 -40.04 86.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.705 -1.247 . . . . 0.0 107.839 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -60.63 -43.82 97.07 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.4 t-105 -62.01 -50.81 70.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.559 -0.713 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 56.5 t0 -56.64 -38.15 71.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.461 -0.775 . . . . 0.0 109.782 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -83.15 -4.26 58.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.201 -0.937 . . . . 0.0 109.409 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.54 156.42 38.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.309 -0.87 . . . . 0.0 109.734 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 t -75.1 162.8 28.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 109.742 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.6 -40.0 90.18 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -60.39 -37.68 81.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.302 -0.874 . . . . 0.0 110.084 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.15 -39.97 88.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.109 -0.994 . . . . 0.0 109.407 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -65.97 -41.8 90.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.965 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -61.83 -43.88 97.95 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 109.973 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.73 -50.12 75.07 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.02 97.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -40.1 87.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.439 0.637 . . . . 0.0 109.692 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.72 -40.43 95.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.341 -0.849 . . . . 0.0 110.636 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -82.72 -7.51 59.65 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.875 -1.141 . . . . 0.0 112.026 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 20.9 tp -73.19 -45.69 8.04 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.452 -1.405 . . . . 0.0 112.583 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -68.88 -24.7 33.61 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.299 1.333 . . . . 0.0 112.291 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.71 -44.39 33.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 108.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.33 -42.61 84.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.281 -0.887 . . . . 0.0 108.733 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -67.91 -40.52 83.4 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.64 95.33 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 47.6 t0 -59.85 -41.31 91.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.6 -40.11 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 109.258 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mmm -69.1 -40.34 78.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.47 -0.769 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.13 -40.15 90.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.164 -0.96 . . . . 0.0 109.137 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -61.04 -38.57 86.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.269 -0.895 . . . . 0.0 109.695 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.82 -3.52 16.02 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.342 -0.848 . . . . 0.0 108.822 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 69.63 31.96 70.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.0 mt -79.27 148.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.196 -1.179 . . . . 0.0 109.045 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -52.92 139.69 26.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.61 -1.306 . . . . 0.0 109.893 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 p -57.87 -43.5 86.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.666 -0.646 . . . . 0.0 110.006 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.0 -43.69 95.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.125 -0.984 . . . . 0.0 109.59 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.8 m -69.73 -41.53 75.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.383 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.18 70.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.857 -0.527 . . . . 0.0 110.163 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -69.7 -38.52 77.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.023 -1.048 . . . . 0.0 109.705 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.39 98.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.923 -1.11 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.9 m -63.64 -44.44 93.84 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.69 -1.256 . . . . 0.0 108.903 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 145' ' ' LEU . 55.4 t -60.67 -46.46 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.431 -0.793 . . . . 0.0 109.216 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.21 -35.78 76.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.426 -0.796 . . . . 0.0 109.776 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.56 -50.04 27.76 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -69.57 -42.12 74.93 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.188 -1.184 . . . . 0.0 109.598 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.0 m-85 -103.23 138.21 40.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.84 . . . . 0.0 110.755 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -84.51 61.18 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.975 -1.078 . . . . 0.0 109.299 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.9 158.7 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.723 . . . . 0.0 109.99 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.0 m -75.26 131.87 40.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.702 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.56 90.02 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.08 -1.013 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.2 p -63.71 -40.02 95.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 110.409 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.5 m -65.02 -47.03 78.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.992 . . . . 0.0 110.282 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 134' ' ' VAL . 38.2 tp -58.59 -39.81 81.42 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.734 -0.603 . . . . 0.0 109.616 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -59.12 -47.97 83.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 109.947 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -60.41 -41.54 94.11 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.969 -1.082 . . . . 0.0 110.037 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.97 -34.23 74.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.1 -46.8 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.81 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -66.7 -30.93 71.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.053 -1.03 . . . . 0.0 109.287 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.92 -40.19 88.04 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.077 -1.014 . . . . 0.0 111.393 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.17 -12.72 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 111.369 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.72 -38.1 80.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.7 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -74.33 -8.85 57.65 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.505 -0.747 . . . . 0.0 109.695 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.68 141.61 45.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.527 -0.733 . . . . 0.0 109.665 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.469 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.64 146.04 50.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.612 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 6.7 mtmt -50.47 -50.02 74.19 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 120.707 -1.245 . . . . 0.0 110.97 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 71.8 Cg_exo -49.68 -41.77 44.85 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.248 1.965 . . . . 0.0 113.877 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 p-10 -89.1 5.54 44.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.646 -1.284 . . . . 0.0 111.021 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.44 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -56.36 -40.08 73.93 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.812 -1.18 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.19 80.45 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.85 -1.156 . . . . 0.0 109.979 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -79.13 -22.84 44.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.998 -1.064 . . . . 0.0 110.2 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.53 79.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.03 -1.044 . . . . 0.0 111.239 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.13 1.98 8.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.376 -0.827 . . . . 0.0 111.206 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 162' ' ' ALA . 32.0 m -66.17 -40.08 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.517 -1.364 . . . . 0.0 109.741 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.508 ' N ' HG23 ' A' ' 165' ' ' VAL . 35.7 p-10 -87.59 110.03 20.08 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -0.92 . . . . 0.0 109.608 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -97.55 132.26 10.91 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' A' ' 168' ' ' ARG . 0.3 OUTLIER -85.79 120.45 27.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.103 -1.234 . . . . 0.0 108.782 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -173.05 92.95 0.09 OUTLIER Glycine 0 N--CA 1.489 2.184 0 C-N-CA 119.37 -1.395 . . . . 0.0 109.994 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.31 113.88 16.7 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.101 -1.235 . . . . 0.0 109.563 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 64.9 m -140.47 154.6 46.67 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.33 -0.856 . . . . 0.0 111.135 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -135.74 149.73 49.28 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.418 -0.801 . . . . 0.0 109.273 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -148.81 -164.49 2.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.797 179.499 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.53 140.39 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.33 -17.52 0.2 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.927 -1.108 . . . . 0.0 109.017 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -169.54 70.68 0.67 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.699 -0.626 . . . . 0.0 110.23 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -70.11 149.99 65.45 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 121.94 1.76 . . . . 0.0 110.722 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -61.05 140.06 57.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 108.815 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' C ' ' NE2' ' A' ' 85' ' ' HIS . 74.2 mt -137.27 56.63 1.77 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.117 -0.989 . . . . 0.0 110.535 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -135.61 -1.56 2.51 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.152 -0.967 . . . . 0.0 109.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.47 -26.78 14.72 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.99 -1.069 . . . . 0.0 110.9 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -64.44 121.3 14.04 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.106 -0.996 . . . . 0.0 110.185 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.37 -18.71 58.74 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 122.017 0.913 . . . . 0.0 108.661 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 88' ' ' ASP . 52.7 p90 -92.43 168.96 10.93 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.1 p-10 -59.54 -153.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.26 -0.9 . . . . 0.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -135.56 -34.18 0.85 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.083 -1.011 . . . . 0.0 110.479 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 94' ' ' SER . 18.3 pt-20 -61.28 -39.08 89.1 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.211 -0.931 . . . . 0.0 111.08 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.37 73.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.135 -1.603 . . . . 0.0 111.906 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.9 tp -78.48 -54.14 6.48 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.626 -1.296 . . . . 0.0 111.08 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -67.99 -28.92 67.85 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.87 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 48.1 t -60.47 -40.23 90.51 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.137 -1.602 . . . . 0.0 108.475 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.47 -43.18 97.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.89 -40.15 87.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.515 -0.741 . . . . 0.0 110.07 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -87.72 -1.04 57.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.093 -1.004 . . . . 0.0 109.66 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.6 46.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.166 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -70.25 159.14 34.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.751 . . . . 0.0 109.949 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 102' ' ' SER . 35.1 p-10 -59.89 -39.12 84.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.733 -0.604 . . . . 0.0 109.923 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 55.4 m -60.13 -40.21 88.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.65 -1.281 . . . . 0.0 110.059 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -65.09 -40.8 95.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 109.814 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 85.1 mtm180 -69.65 -40.26 76.59 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.328 -0.857 . . . . 0.0 109.762 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.475 ' HG2' HH11 ' A' ' 105' ' ' ARG . 15.2 ttt-85 -62.5 -41.46 98.85 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.343 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.56 -46.85 88.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.384 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.666 -1.271 . . . . 0.0 108.57 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.9 -38.04 81.12 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.18 -38.39 85.31 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.222 -0.924 . . . . 0.0 110.512 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -87.07 -8.15 57.36 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 18.6 tp -74.87 -36.97 2.51 Favored Pre-proline 0 N--CA 1.509 2.479 0 O-C-N 119.474 -2.016 . . . . 0.0 111.84 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 20.2 Cg_exo -64.95 -33.3 52.31 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.677 2.252 . . . . 0.0 111.592 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.02 52.49 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.288 -0.882 . . . . 0.0 110.256 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 t -70.15 -41.03 78.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.719 -1.238 . . . . 0.0 109.12 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.56 -41.92 92.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.267 -0.895 . . . . 0.0 109.843 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.5 92.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.538 -0.726 . . . . 0.0 109.775 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.24 91.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.473 -0.767 . . . . 0.0 110.439 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.557 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 39.2 t0 -59.77 -40.2 87.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.768 -1.207 . . . . 0.0 108.895 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.63 -40.37 95.33 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.196 -0.94 . . . . 0.0 110.582 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.9 mmt -72.68 -40.12 66.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.117 -0.99 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.21 -40.04 96.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.319 -0.863 . . . . 0.0 110.085 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.557 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 89.7 m-20 -65.19 -26.26 68.07 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.07 -1.019 . . . . 0.0 109.544 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -77.82 -0.3 26.69 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.5 28.3 65.88 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.51 141.66 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.81 -1.406 . . . . 0.0 108.922 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 p -53.01 138.91 29.38 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.92 0.867 . . . . 0.0 109.505 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.3 p -59.62 -41.31 90.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.248 -0.907 . . . . 0.0 110.616 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.11 -46.19 88.97 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.112 -0.992 . . . . 0.0 109.467 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.3 m -69.15 -40.99 77.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.48 69.35 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.297 -0.877 . . . . 0.0 110.518 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.84 -39.5 79.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.685 -1.259 . . . . 0.0 108.773 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.6 73.08 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.862 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -40.05 88.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.81 -1.181 . . . . 0.0 109.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.34 -42.5 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.2 -31.92 73.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.11 -0.994 . . . . 0.0 109.35 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.07 13.51 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -66.16 -42.22 89.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.4 m-85 -104.7 127.16 52.39 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.569 0.7 . . . . 0.0 109.815 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 70.75 7.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.808 -1.183 . . . . 0.0 109.475 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.51 158.16 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.5 m -68.74 127.3 32.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.247 -0.908 . . . . 0.0 108.754 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.06 87.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.527 -0.733 . . . . 0.0 109.322 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.5 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.968 -0.457 . . . . 0.0 110.84 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 79.3 m -64.07 -49.79 70.9 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.204 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.84 -40.43 88.47 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.354 -0.841 . . . . 0.0 109.709 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -60.27 -49.98 75.46 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.18 -40.77 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.728 -1.232 . . . . 0.0 109.552 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.45 -37.96 88.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.369 -0.832 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.74 -47.62 84.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.017 -1.052 . . . . 0.0 110.693 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -66.55 -38.98 88.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.17 -0.956 . . . . 0.0 110.03 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.59 -40.99 93.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.906 -1.121 . . . . 0.0 111.434 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.35 -13.1 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.269 -0.894 . . . . 0.0 111.015 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -58.53 -38.72 78.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.829 -1.169 . . . . 0.0 108.479 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -74.91 -6.4 49.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.625 -0.672 . . . . 0.0 109.746 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -109.09 149.27 29.55 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.62 139.4 57.23 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 88.0 mttt -57.24 -40.2 82.98 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.064 -1.022 . . . . 0.0 111.674 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.0 Cg_exo -62.61 -28.47 77.07 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 121.722 1.615 . . . . 0.0 112.177 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.48 ' CG ' ' HH ' ' A' ' 87' ' ' TYR . 87.1 m-20 -87.27 -2.28 58.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.297 -0.877 . . . . 0.0 109.3 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -60.13 -39.85 87.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.995 . . . . 0.0 109.762 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.04 90.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.919 -1.113 . . . . 0.0 109.016 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -80.69 -24.05 39.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.935 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.38 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.924 -1.11 . . . . 0.0 110.715 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.01 -19.1 61.91 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.14 -0.975 . . . . 0.0 111.632 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 162' ' ' ALA . 1.8 p -65.23 -33.37 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.553 -1.342 . . . . 0.0 109.476 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -91.29 120.74 32.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 109.024 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.44 57.61 2.45 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 168' ' ' ARG . 36.2 ttt-85 -79.84 -12.33 59.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -1.168 . . . . 0.0 108.453 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -144.19 3.33 1.44 Allowed Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.86 156.89 28.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.133 -1.216 . . . . 0.0 110.023 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 66.1 p -77.83 163.28 26.21 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.009 -1.057 . . . . 0.0 108.845 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.417 ' CG ' ' OXT' ' A' ' 174' ' ' ASN . 23.6 ttt-85 -90.45 116.97 28.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.466 -0.771 . . . . 0.0 109.699 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -97.22 -16.09 20.55 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.444 ' O ' ' OD1' ' A' ' 174' ' ' ASN . 48.3 t-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.472 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 76' ' ' MET . 2.3 mmt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.36 -25.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.013 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.29 -36.12 72.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.609 -1.307 . . . . 0.0 110.635 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -69.95 149.65 96.39 Favored Pre-proline 0 N--CA 1.503 2.194 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -69.89 149.94 66.73 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 CA-C-N 119.941 1.014 . . . . 0.0 111.801 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -103.2 146.65 28.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.222 -0.924 . . . . 0.0 109.769 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -162.05 66.75 0.25 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.7 -1.25 . . . . 0.0 109.72 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -168.45 -38.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.374 -1.454 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.58 -12.12 59.86 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 110.065 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.732 ' CD2' HH12 ' A' ' 89' ' ' ARG . 0.0 OUTLIER -103.7 118.91 37.81 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.434 -0.791 . . . . 0.0 109.426 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.65 -18.74 65.55 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.0 p90 -107.41 82.75 1.71 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.675 -0.641 . . . . 0.0 109.295 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.0 138.85 58.43 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.308 -0.87 . . . . 0.0 109.123 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.732 HH12 ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -157.63 114.93 3.01 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 122.584 1.183 . . . . 0.0 111.778 179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.3 pt-20 -81.48 -26.45 35.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.175 -0.953 . . . . 0.0 109.475 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.07 79.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.313 -0.867 . . . . 0.0 109.77 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.28 -50.51 71.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.929 -1.107 . . . . 0.0 108.671 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -67.22 -31.33 71.63 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' GLU . 36.8 t -60.34 -41.07 92.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.444 -1.41 . . . . 0.0 108.34 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -60.35 -40.3 90.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.191 -0.943 . . . . 0.0 108.988 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.401 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 12.1 t-105 -61.36 -54.18 47.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.88 87.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.392 -0.817 . . . . 0.0 108.937 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.72 -1.29 50.95 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.408 -0.807 . . . . 0.0 109.499 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.87 42.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.089 -1.007 . . . . 0.0 109.73 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.6 m -74.2 164.85 26.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.168 -0.958 . . . . 0.0 110.024 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.08 -40.67 90.34 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.357 -0.839 . . . . 0.0 110.208 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.3 m -60.17 -39.99 88.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 109.208 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.17 -39.92 94.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.259 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 104' ' ' ARG . 0.1 OUTLIER -63.79 -43.83 95.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.571 -0.706 . . . . 0.0 109.143 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -64.91 -40.23 94.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.08 -50.69 72.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.976 -1.078 . . . . 0.0 109.208 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.941 -1.1 . . . . 0.0 108.701 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.27 -38.39 89.11 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.375 -0.828 . . . . 0.0 109.125 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.9 -39.84 94.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 111.826 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -88.91 -4.39 58.47 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.134 -0.979 . . . . 0.0 113.388 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 17.4 tp -77.92 -36.08 1.32 Allowed Pre-proline 0 N--CA 1.509 2.506 0 O-C-N 119.642 -1.911 . . . . 0.0 112.351 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 22.8 Cg_exo -64.08 -35.81 51.57 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.67 2.247 . . . . 0.0 112.107 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.76 -41.54 44.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.681 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.9 -45.68 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.725 -1.235 . . . . 0.0 109.114 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -62.21 -45.24 94.23 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 109.39 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.35 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.498 -0.751 . . . . 0.0 108.981 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.41 84.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.561 -0.712 . . . . 0.0 109.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 30.9 t0 -57.9 -46.72 84.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.609 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 48.9 mt-10 -63.0 -40.02 96.52 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.037 -1.039 . . . . 0.0 109.902 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.6 mtp -70.08 -40.14 75.18 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.44 -40.04 94.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 46.6 p30 -65.44 -15.96 63.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.597 -1.315 . . . . 0.0 110.5 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.423 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 56.9 tt0 -80.07 -4.23 51.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.014 -1.054 . . . . 0.0 109.363 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.09 25.21 64.59 Favored Glycine 0 N--CA 1.496 2.662 0 O-C-N 120.943 -1.098 . . . . 0.0 110.944 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.31 146.27 8.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.78 -1.424 . . . . 0.0 108.977 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -54.48 140.12 35.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.77 -1.206 . . . . 0.0 109.906 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -59.0 -42.43 90.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.493 -0.754 . . . . 0.0 109.911 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.189 -0.944 . . . . 0.0 110.027 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.9 m -67.47 -44.05 79.53 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.069 -1.02 . . . . 0.0 109.168 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.0 75.34 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.064 -1.022 . . . . 0.0 110.655 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.9 -39.44 83.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.45 -1.406 . . . . 0.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.42 86.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.093 -1.005 . . . . 0.0 109.285 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 99.1 m -61.34 -47.02 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.955 . . . . 0.0 110.187 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.88 -47.22 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.112 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.25 -28.15 69.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.839 -1.163 . . . . 0.0 109.018 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.9 -49.61 22.08 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 119.055 -1.545 . . . . 0.0 109.454 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -71.95 -39.98 68.99 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.981 -1.305 . . . . 0.0 109.026 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.7 m-85 -99.1 135.57 40.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -82.8 67.03 8.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.457 -0.777 . . . . 0.0 109.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.65 158.05 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.752 . . . . 0.0 109.089 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 t -72.45 130.33 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.489 -0.757 . . . . 0.0 109.75 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.27 87.84 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.431 -0.793 . . . . 0.0 109.726 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 70.4 p -65.32 -39.92 93.05 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.2 -0.938 . . . . 0.0 110.336 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 61.9 m -63.21 -50.08 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.827 -1.171 . . . . 0.0 108.825 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.94 -40.49 89.14 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.452 -0.78 . . . . 0.0 109.348 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -60.36 -49.68 76.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 110.023 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -40.47 90.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.907 -1.121 . . . . 0.0 110.363 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -68.35 -37.2 80.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.272 -0.893 . . . . 0.0 111.487 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.72 -48.76 80.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.71 -1.244 . . . . 0.0 109.914 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -69.87 -33.39 72.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.251 -0.906 . . . . 0.0 109.775 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -60.07 -41.97 93.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.771 -1.206 . . . . 0.0 111.06 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.21 -10.03 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.768 -1.208 . . . . 0.0 111.511 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.62 -40.12 74.81 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -76.43 -7.02 54.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.085 -1.009 . . . . 0.0 109.583 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -106.9 148.73 28.24 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.401 -0.812 . . . . 0.0 110.023 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.536 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -70.92 150.21 45.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.404 -0.81 . . . . 0.0 110.226 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 43.2 mttm -52.04 -53.29 53.5 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.589 -0.694 . . . . 0.0 110.806 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 18.1 Cg_endo -58.64 -28.38 86.02 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.091 1.194 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 48.3 t0 -82.43 -19.06 39.74 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.763 -0.586 . . . . 0.0 109.826 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.536 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 44.7 m0 -54.14 -38.4 65.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.734 -1.229 . . . . 0.0 109.785 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.68 82.1 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.791 -1.193 . . . . 0.0 108.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.698 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -77.68 -38.39 47.59 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.445 -0.785 . . . . 0.0 109.566 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.27 81.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.039 -1.038 . . . . 0.0 111.056 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.64 -15.93 63.68 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.985 . . . . 0.0 111.27 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 162' ' ' ALA . 3.0 m -69.65 -20.02 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.746 -1.221 . . . . 0.0 109.393 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -84.39 151.64 24.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.313 -0.867 . . . . 0.0 109.191 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.13 -152.76 20.9 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -71.36 -38.04 71.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.154 -1.204 . . . . 0.0 110.088 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -155.76 130.37 2.75 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 108.836 -1.706 . . . . 0.0 108.836 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.99 111.39 15.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.053 -1.263 . . . . 0.0 109.589 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 82.8 p -68.37 -36.06 78.64 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.526 -0.734 . . . . 0.0 109.801 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.62 163.32 26.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 109.74 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -85.57 135.68 33.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.227 -0.92 . . . . 0.0 109.105 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.649 -1.167 . . . . 0.0 109.183 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.133 0.492 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 pt -60.04 140.08 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.87 -1.144 . . . . 0.0 109.449 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.12 -83.54 0.21 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.013 -1.054 . . . . 0.0 108.784 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 44.9 mtt180 -139.96 42.09 0.5 Allowed Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.256 -0.902 . . . . 0.0 109.301 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 26.5 Cg_endo -68.91 149.92 72.73 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.743 1.629 . . . . 0.0 111.163 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.93 141.82 54.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.623 -0.673 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -87.29 109.52 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.171 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.525 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 84.6 tt0 -151.62 147.25 26.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.947 -1.096 . . . . 0.0 108.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.19 108.2 1.5 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.986 -1.071 . . . . 0.0 109.216 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -80.57 -64.5 1.17 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -128.76 -7.76 5.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' HH ' ' HE1' ' A' ' 93' ' ' TRP . 19.5 p90 -143.69 133.72 24.18 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -96.79 97.55 9.41 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.64 -1.287 . . . . 0.0 109.043 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.54 68.53 1.41 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.354 -0.841 . . . . 0.0 109.696 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -61.28 -39.61 91.06 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.899 -1.126 . . . . 0.0 109.007 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 90' ' ' GLU . . . -59.89 -40.53 89.06 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.468 -0.77 . . . . 0.0 110.752 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.02 -51.28 69.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.94 -1.1 . . . . 0.0 109.58 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.51 ' HE1' ' HH ' ' A' ' 87' ' ' TYR . 82.6 m95 -69.82 -33.82 72.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.717 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.5 m -60.05 -40.29 88.9 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.119 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.44 -39.52 87.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.238 -0.914 . . . . 0.0 109.546 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -59.25 -44.24 92.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 108.965 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.47 -39.65 76.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.398 -0.814 . . . . 0.0 109.634 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -88.88 -2.98 58.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.127 -0.983 . . . . 0.0 110.016 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.85 160.81 27.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.089 -1.007 . . . . 0.0 108.995 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -70.0 151.93 45.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.149 -0.969 . . . . 0.0 109.278 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 7.9 t70 -60.05 -41.76 93.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 110.048 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -60.01 -39.98 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.012 -1.055 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.28 -39.96 88.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.058 -1.027 . . . . 0.0 110.211 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.5 mtm180 -68.2 -40.08 82.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.176 . . . . 0.0 109.438 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -66.53 -39.88 88.85 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.094 -1.004 . . . . 0.0 109.192 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.13 -46.49 88.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.934 -1.104 . . . . 0.0 108.06 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.15 93.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.989 -1.069 . . . . 0.0 109.147 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.38 -40.07 92.97 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.82 -40.99 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.488 -0.757 . . . . 0.0 110.898 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.474 ' O ' HG23 ' A' ' 114' ' ' VAL . 71.5 m95 -82.25 -5.37 58.48 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.894 -1.129 . . . . 0.0 110.345 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 7.3 tp -73.38 -47.12 7.65 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 120.679 -1.263 . . . . 0.0 112.455 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 42.3 Cg_endo -64.03 -20.47 67.73 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 120.856 1.341 . . . . 0.0 111.598 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.19 18.1 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.028 -1.045 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 110' ' ' TRP . 45.6 t -69.19 -42.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.142 -0.974 . . . . 0.0 110.676 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.79 -38.46 89.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.904 -1.122 . . . . 0.0 110.626 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.42 94.68 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.906 -1.121 . . . . 0.0 109.687 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.08 88.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 110.045 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.93 -40.56 89.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.914 -1.116 . . . . 0.0 109.257 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 76.5 tt0 -60.61 -43.37 97.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 108.72 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.4 mmm -70.66 -40.49 72.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.61 -0.681 . . . . 0.0 110.807 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.0 mt -68.19 -38.45 82.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.987 -1.071 . . . . 0.0 110.882 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 122' ' ' ASN . 42.6 p30 -68.97 -13.5 62.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.81 -1.181 . . . . 0.0 109.821 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.415 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 53.0 tt0 -93.33 7.37 44.7 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.83 28.39 60.97 Favored Glycine 0 N--CA 1.491 2.307 0 O-C-N 121.391 -0.818 . . . . 0.0 111.968 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.9 mm -80.48 140.07 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.92 -1.341 . . . . 0.0 108.48 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -55.62 138.53 46.86 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 108.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -56.17 -42.93 77.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -0.867 . . . . 0.0 109.738 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.07 -1.019 . . . . 0.0 108.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.7 m -66.14 -41.1 90.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.275 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.23 60.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.301 -0.874 . . . . 0.0 110.223 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -68.66 -39.48 80.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 109.419 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.31 93.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.832 -1.168 . . . . 0.0 109.021 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 96.2 m -61.62 -44.83 96.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.551 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.57 -45.47 78.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.654 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.67 -29.38 70.38 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.32 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.73 -48.6 21.45 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -70.08 -40.57 74.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -1.175 . . . . 0.0 109.296 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.492 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.8 m-85 -99.32 139.4 35.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.189 -0.945 . . . . 0.0 108.946 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -83.58 62.81 7.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.705 -1.247 . . . . 0.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.97 147.06 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.3 p -70.15 137.65 51.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.471 -0.768 . . . . 0.0 109.977 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.11 92.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.987 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.1 p -61.45 -40.11 93.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.163 -0.961 . . . . 0.0 110.093 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -66.61 -51.4 56.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.352 -0.843 . . . . 0.0 109.866 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.59 -42.19 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.692 0.758 . . . . 0.0 109.197 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -60.08 -49.81 76.19 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.536 -0.728 . . . . 0.0 110.239 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -62.17 -41.47 98.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.124 -0.985 . . . . 0.0 110.676 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -68.47 -38.38 81.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.555 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -59.16 -44.08 92.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.335 -0.853 . . . . 0.0 110.397 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.71 -39.34 76.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.407 -1.433 . . . . 0.0 109.22 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.05 -40.75 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.533 -0.729 . . . . 0.0 111.565 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.62 -13.34 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.622 -1.299 . . . . 0.0 110.556 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -58.73 -39.02 79.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.107 -0.996 . . . . 0.0 108.841 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.15 -9.53 58.7 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.27 -0.894 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.86 149.44 26.53 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.303 -0.873 . . . . 0.0 110.051 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.42 149.39 50.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.574 . . . . 0.0 109.64 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 28.5 mmtm -49.61 -50.02 69.0 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.288 -0.883 . . . . 0.0 111.269 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 42.2 Cg_endo -63.84 -24.08 68.34 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 CA-C-N 120.967 1.381 . . . . 0.0 112.044 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -81.59 -8.21 59.69 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -59.88 -40.1 87.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.951 -1.093 . . . . 0.0 109.896 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.49 90.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.098 -1.001 . . . . 0.0 109.784 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.91 61.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.429 -0.794 . . . . 0.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.47 79.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.145 -0.972 . . . . 0.0 111.131 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.09 -4.45 35.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.964 -1.085 . . . . 0.0 111.04 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.01 -70.64 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.615 -1.303 . . . . 0.0 109.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -105.35 131.19 53.09 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.396 -0.815 . . . . 0.0 109.665 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.26 178.87 43.6 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.945 -1.662 . . . . 0.0 108.945 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -82.57 129.79 34.99 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.93 -1.335 . . . . 0.0 109.613 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -161.65 119.65 0.9 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.08 -70.38 0.52 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.985 -1.303 . . . . 0.0 109.389 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 61.5 m -146.01 -95.94 0.09 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -89.86 73.58 7.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.143 -0.973 . . . . 0.0 109.609 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -93.62 129.46 39.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.331 -0.855 . . . . 0.0 109.217 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.363 179.555 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.712 0.768 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.3 pt -61.06 144.12 14.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.061 -1.025 . . . . 0.0 110.339 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -136.12 111.48 9.13 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 ptm180 -59.94 -28.74 4.76 Favored Pre-proline 0 N--CA 1.501 2.109 0 C-N-CA 118.231 -1.387 . . . . 0.0 114.38 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 51.8 Cg_exo -59.06 -33.09 98.48 Favored 'Trans proline' 0 N--CA 1.507 2.309 0 CA-C-N 121.928 1.724 . . . . 0.0 111.108 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.7 m -69.9 141.1 53.19 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.046 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 4.8 mt -147.21 -53.31 0.22 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.607 -1.308 . . . . 0.0 109.065 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.05 111.86 23.51 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.821 -1.175 . . . . 0.0 109.468 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -175.89 16.76 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -158.26 -165.15 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.0 109.744 -178.773 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -108.47 38.36 2.26 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.237 -0.914 . . . . 0.0 110.671 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 2.2 p90 -170.65 142.92 2.09 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.878 -1.139 . . . . 0.0 108.572 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -137.12 91.53 2.63 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.843 -1.161 . . . . 0.0 109.215 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -97.53 102.38 14.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.275 -0.89 . . . . 0.0 109.398 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.17 -39.86 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 109.13 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.05 94.81 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.17 0.509 . . . . 0.0 110.492 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.29 -52.62 64.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.005 -1.059 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -69.33 -39.79 77.99 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 m -59.71 -40.32 87.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.834 -1.166 . . . . 0.0 110.124 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -60.48 -40.68 92.17 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.466 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -61.47 -47.39 85.9 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.802 -1.186 . . . . 0.0 108.211 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 50.4 t0 -57.08 -36.88 71.11 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.577 -0.702 . . . . 0.0 109.459 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -82.55 -7.14 59.65 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.183 -0.948 . . . . 0.0 109.662 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.05 151.56 44.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -71.66 154.4 41.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.45 -0.781 . . . . 0.0 110.439 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.22 -40.4 90.04 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 110.177 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -60.08 -40.42 89.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.138 -0.976 . . . . 0.0 109.985 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.2 -40.16 95.49 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.557 -1.339 . . . . 0.0 108.923 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.0 mtt180 -64.28 -40.01 95.11 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.606 -0.683 . . . . 0.0 109.763 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.504 HH11 ' HG2' ' A' ' 105' ' ' ARG . 4.0 mmt-85 -60.25 -41.7 93.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.999 -1.063 . . . . 0.0 109.933 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.84 -46.9 88.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.273 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.64 94.73 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.26 -0.9 . . . . 0.0 109.923 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.04 -39.38 85.72 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.534 -0.729 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.71 -39.9 94.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.851 -1.156 . . . . 0.0 110.611 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.445 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 75.4 m95 -81.9 -9.66 59.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.403 -0.811 . . . . 0.0 111.795 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 18.1 tp -74.59 -45.76 5.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.398 -1.439 . . . . 0.0 112.323 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 61.3 Cg_endo -67.78 -24.42 40.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.992 1.39 . . . . 0.0 112.146 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.73 59.36 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.71 -1.244 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.88 -40.65 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.995 -1.065 . . . . 0.0 108.966 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.9 mm-40 -66.25 -40.15 89.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.551 -0.718 . . . . 0.0 110.362 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.24 73.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.261 -0.899 . . . . 0.0 110.136 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.22 91.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 109.274 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -59.41 -41.44 89.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.323 -0.861 . . . . 0.0 109.121 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.13 -42.07 94.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 109.693 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.78 -39.12 84.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.269 -0.894 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.01 -29.87 69.82 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.471 -0.768 . . . . 0.0 109.251 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.62 -38.76 85.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.595 -0.69 . . . . 0.0 109.241 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -72.6 0.06 11.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.0 62.64 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.71 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.84 142.88 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.316 . . . . 0.0 108.643 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.0 p -51.49 139.93 18.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.991 -1.068 . . . . 0.0 110.214 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 p -58.68 -42.65 88.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.834 -0.541 . . . . 0.0 110.574 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.06 -45.03 91.83 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.911 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -68.3 -43.38 77.79 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 109.977 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 134' ' ' VAL . . . -60.0 -49.82 76.15 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.04 -39.47 75.72 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.635 -1.291 . . . . 0.0 109.808 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.47 81.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.048 -1.033 . . . . 0.0 109.779 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.9 m -63.65 -44.24 94.4 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.2 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 130' ' ' ALA . 54.3 t -60.48 -45.4 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.391 -0.818 . . . . 0.0 109.485 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.05 -29.31 69.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.144 -0.973 . . . . 0.0 109.247 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.22 -50.25 17.75 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.86 -41.74 78.03 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.854 -1.38 . . . . 0.0 109.494 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -102.0 136.05 42.51 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.519 -0.738 . . . . 0.0 109.266 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -82.26 63.93 6.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.53 -0.731 . . . . 0.0 109.563 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.5 m -130.36 158.4 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.0 m -74.96 130.02 38.66 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.924 -1.11 . . . . 0.0 109.97 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.1 m -62.26 -39.93 94.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 109.948 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.2 m -64.72 -49.34 71.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.076 -1.015 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.51 -43.84 97.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.056 -1.027 . . . . 0.0 110.006 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -60.27 -46.09 91.04 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.23 -0.919 . . . . 0.0 110.566 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.25 -46.9 88.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 0.0 110.641 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.445 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 45.2 mtmt -69.21 -30.45 68.63 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.827 -1.171 . . . . 0.0 110.74 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -59.94 -47.33 86.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.786 -1.196 . . . . 0.0 109.996 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.78 -35.22 76.78 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.774 -1.204 . . . . 0.0 109.673 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.08 -39.92 87.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 110.925 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 152' ' ' VAL . 29.2 m -81.76 -9.93 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.57 -1.331 . . . . 0.0 110.351 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -60.0 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.861 -1.149 . . . . 0.0 110.709 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.14 -4.27 52.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.567 -1.333 . . . . 0.0 109.464 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -103.92 145.73 29.7 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -60.37 140.12 57.32 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.132 -0.98 . . . . 0.0 109.54 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 9.8 mtpm? -52.03 -50.14 80.22 Favored Pre-proline 0 C--N 1.301 -1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 111.509 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 33.8 Cg_endo -61.61 -22.46 74.49 Favored 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.886 1.724 . . . . 0.0 113.374 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.585 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 9.4 p30 -89.98 0.04 57.32 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.967 -1.083 . . . . 0.0 109.649 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.474 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 31.1 m0 -57.57 -39.52 76.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.572 -0.705 . . . . 0.0 109.912 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -51.47 -47.08 63.28 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.681 -1.262 . . . . 0.0 109.392 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.11 62.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.985 -1.072 . . . . 0.0 109.616 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 166' ' ' ASP . . . -60.01 -39.01 84.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.96 -1.088 . . . . 0.0 109.916 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.42 -40.51 97.39 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.87 -41.8 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.83 -1.169 . . . . 0.0 109.141 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 163' ' ' ALA . 65.1 t0 -90.02 119.05 30.04 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.397 -0.814 . . . . 0.0 109.984 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -96.21 41.86 2.34 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -82.68 125.27 31.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.281 -1.129 . . . . 0.0 109.945 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -85.49 145.37 21.09 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.23 61.96 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.053 -1.263 . . . . 0.0 109.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.3 p -154.89 162.55 41.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.379 -0.826 . . . . 0.0 109.649 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -97.44 111.87 23.95 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-O 121.835 0.826 . . . . 0.0 109.92 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -144.78 -19.08 0.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.843 . . . . 0.0 109.277 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.672 -1.156 . . . . 0.0 110.416 -179.244 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.77 140.31 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.0 109.575 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.1 133.32 44.1 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.015 -1.053 . . . . 0.0 110.233 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' HG2' ' H ' ' A' ' 79' ' ' ARG . 3.9 mmt180 -60.39 149.44 76.93 Favored Pre-proline 0 N--CA 1.485 1.306 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -70.14 149.95 65.19 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 121.993 1.795 . . . . 0.0 110.696 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -60.88 139.88 57.86 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.429 -1.419 . . . . 0.0 107.614 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -99.65 122.16 42.28 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.741 -1.224 . . . . 0.0 109.638 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 40.7 tt0 -146.42 -86.13 0.11 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.397 -0.814 . . . . 0.0 108.914 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.67 141.59 55.3 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' NE ' ' A' ' 89' ' ' ARG . 88.0 m-70 -143.4 65.36 1.32 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.958 -1.089 . . . . 0.0 112.432 -177.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.24 89.33 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -122.3 156.11 34.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.31 116.08 17.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.692 -1.255 . . . . 0.0 108.873 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.679 ' CD ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -70.11 -28.06 65.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.605 -0.685 . . . . 0.0 110.699 -178.41 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 94' ' ' SER . 8.9 pt-20 -58.2 -38.55 76.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.433 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.46 88.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.824 -1.173 . . . . 0.0 109.963 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.84 -51.89 67.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.951 -1.093 . . . . 0.0 108.868 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.24 -31.75 70.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -0.853 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' GLU . 47.6 t -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.241 -1.537 . . . . 0.0 109.201 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.55 -40.02 95.5 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.492 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 3.1 t-105 -59.91 -45.68 91.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.209 -0.932 . . . . 0.0 109.045 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 39.3 t0 -58.62 -37.83 76.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.235 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.95 -5.93 59.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 109.636 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.93 150.53 48.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.286 -0.884 . . . . 0.0 109.658 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -74.43 161.63 29.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.112 -0.992 . . . . 0.0 108.926 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 102' ' ' SER . 36.8 p-10 -60.06 -38.69 83.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.103 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.561 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 65.1 m -60.06 -40.27 88.88 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.228 -0.92 . . . . 0.0 109.516 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.484 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -67.11 -39.87 86.77 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' A' ' 105' ' ' ARG . 41.0 ttt-85 -60.49 -47.12 87.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.676 -0.64 . . . . 0.0 110.153 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.04 -50.05 75.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.88 -1.138 . . . . 0.0 109.11 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.81 94.18 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.661 -1.274 . . . . 0.0 109.608 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.18 -40.0 92.28 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.607 -0.683 . . . . 0.0 110.154 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -65.81 -40.08 91.51 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 111.284 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.85 -10.57 59.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.958 -1.089 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 56.9 tp -72.85 -48.4 8.3 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 120.565 -1.334 . . . . 0.0 111.563 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 49.3 Cg_endo -64.79 -25.51 60.69 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.731 1.621 . . . . 0.0 112.041 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.48 62.6 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.968 -1.083 . . . . 0.0 109.257 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.95 -42.46 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.373 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -64.38 -41.04 96.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.885 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.7 83.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.133 -0.98 . . . . 0.0 109.496 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.43 90.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.242 -0.911 . . . . 0.0 109.497 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.35 -41.5 93.76 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.516 -0.74 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.48 -41.15 93.61 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.498 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.6 mmt -69.91 -40.24 75.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 109.306 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -40.15 96.71 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.929 -1.107 . . . . 0.0 109.161 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -63.68 -40.1 95.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.462 -0.774 . . . . 0.0 109.73 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.25 -3.4 29.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.67 36.39 33.37 Favored Glycine 0 N--CA 1.495 2.623 0 O-C-N 121.442 -0.786 . . . . 0.0 113.533 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 125' ' ' ILE . 1.9 mp -78.73 141.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.337 -1.684 . . . . 0.0 107.509 177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.7 m -49.26 140.02 10.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.057 -1.027 . . . . 0.0 109.268 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 -43.67 84.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.079 -1.013 . . . . 0.0 110.085 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -59.94 -42.76 94.72 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 109.223 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.095 -1.003 . . . . 0.0 110.63 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.23 74.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 111.318 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.88 -40.12 83.59 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 109.707 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.47 89.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.102 -0.999 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.8 m -60.01 -44.96 94.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.075 -1.016 . . . . 0.0 110.291 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 145' ' ' LEU . 54.7 t -61.16 -46.06 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.591 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.03 -29.34 69.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.688 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.45 -53.45 8.7 Favored Glycine 0 N--CA 1.482 1.734 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -70.52 -40.27 73.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -1.187 . . . . 0.0 109.805 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 135' ' ' ALA . 76.5 m-85 -97.99 135.12 40.14 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -88.07 61.32 6.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.929 -1.107 . . . . 0.0 108.922 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.79 159.95 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.595 -0.691 . . . . 0.0 109.388 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.0 m -71.76 128.97 37.49 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 109.179 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.79 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.452 -0.78 . . . . 0.0 109.687 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 93.1 p -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.089 -1.007 . . . . 0.0 110.301 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.4 m -63.45 -50.02 71.39 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.121 . . . . 0.0 110.228 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 134' ' ' VAL . 57.0 tp -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.494 -0.754 . . . . 0.0 109.536 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -59.12 -49.76 76.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.323 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.84 -42.42 97.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.143 -0.973 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -34.72 74.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 110.973 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -59.95 -49.6 77.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.041 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -62.74 -39.38 93.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.648 -1.283 . . . . 0.0 109.382 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.85 -39.73 86.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.616 -0.678 . . . . 0.0 111.919 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.2 -16.6 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.522 -1.361 . . . . 0.0 112.043 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.54 -38.5 77.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.546 -1.346 . . . . 0.0 109.526 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -73.32 -8.07 54.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.496 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -106.81 156.24 18.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.133 -0.98 . . . . 0.0 109.057 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -61.89 154.14 27.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.407 -0.808 . . . . 0.0 109.967 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 7.3 mtmp? -66.35 -40.02 31.46 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.675 -1.266 . . . . 0.0 112.104 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 93.7 Cg_endo -80.35 -23.14 6.41 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.813 1.675 . . . . 0.0 113.953 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 41.9 p-10 -84.88 1.92 44.94 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.752 -1.218 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.0 m0 -59.39 -40.07 85.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.436 -0.79 . . . . 0.0 108.976 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.6 87.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.667 -0.646 . . . . 0.0 110.702 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.49 -31.15 47.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.957 -1.089 . . . . 0.0 110.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.61 83.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.308 -0.87 . . . . 0.0 110.516 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 166' ' ' ASP . 94.6 mt -69.74 -29.47 66.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.91 -1.118 . . . . 0.0 109.959 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 165' ' ' VAL . 45.7 t -70.39 45.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.811 -1.181 . . . . 0.0 109.467 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 164' ' ' LEU . 98.2 m-20 -87.17 141.61 28.52 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.189 -0.944 . . . . 0.0 109.193 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.45 168.86 1.65 Allowed Glycine 0 N--CA 1.496 2.682 0 N-CA-C 108.963 -1.655 . . . . 0.0 108.963 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -82.65 139.22 33.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.028 -1.278 . . . . 0.0 109.313 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -75.59 126.9 8.77 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 172' ' ' ARG . . . -80.89 2.4 26.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.494 -1.004 . . . . 0.0 109.09 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 55.0 p -51.66 94.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.645 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' ALA . 8.3 tpp180 -62.81 -40.0 96.04 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 109.838 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -89.87 124.2 34.49 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.162 -0.961 . . . . 0.0 109.043 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.575 179.631 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.1 ttt . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.22 140.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.16 -0.963 . . . . 0.0 109.174 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.26 -98.85 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -59.91 149.94 71.16 Favored Pre-proline 0 N--CA 1.487 1.403 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -69.93 150.4 67.15 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 120.826 1.017 . . . . 0.0 112.12 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.2 m -153.49 105.06 2.8 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tt -147.95 127.44 13.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.863 -1.148 . . . . 0.0 111.513 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 92.9 mt-10 -145.94 112.4 5.87 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.75 79.53 0.19 Allowed 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 122.311 1.053 . . . . 0.0 108.269 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -58.11 -52.94 63.46 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 85' ' ' HIS . 94.6 m-20 -144.25 -2.0 0.91 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.772 -0.58 . . . . 0.0 109.572 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 15.3 p90 -157.2 167.0 31.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.481 -0.762 . . . . 0.0 108.954 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -86.12 125.96 33.86 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -75.14 -20.81 59.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 111.226 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.34 -39.8 80.46 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.93 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.57 92.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.982 -1.074 . . . . 0.0 109.369 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.99 -42.2 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.414 -0.803 . . . . 0.0 109.448 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -69.85 -29.47 66.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.483 -0.761 . . . . 0.0 109.607 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.84 -40.08 87.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.783 -1.198 . . . . 0.0 108.75 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -61.6 -40.39 94.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.636 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -61.33 -48.79 79.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.372 -0.83 . . . . 0.0 108.813 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -58.05 -35.9 72.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -0.817 . . . . 0.0 109.522 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -80.95 -6.19 58.42 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.324 -0.86 . . . . 0.0 108.847 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.47 150.82 44.52 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.396 0.617 . . . . 0.0 109.624 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -74.26 161.28 30.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.3 p-10 -59.57 -39.7 84.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.069 . . . . 0.0 109.581 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 85.6 p -60.44 -40.14 90.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.229 -0.919 . . . . 0.0 109.377 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -65.43 -41.49 93.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.492 -0.755 . . . . 0.0 109.889 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 86.0 mtm180 -66.58 -40.29 88.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.893 -1.129 . . . . 0.0 109.51 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.71 -40.1 96.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.399 -0.813 . . . . 0.0 109.369 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.14 -43.31 99.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.116 -0.99 . . . . 0.0 109.155 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.29 90.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.782 -1.199 . . . . 0.0 108.811 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.24 -40.07 96.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 110.447 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.68 -40.08 95.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.621 -0.675 . . . . 0.0 110.581 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.459 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.5 m95 -87.14 -6.91 58.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 110.923 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.6 tp -70.01 -43.46 19.57 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.295 -1.503 . . . . 0.0 111.765 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -71.46 -21.29 26.33 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 CA-C-N 120.749 1.303 . . . . 0.0 112.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.11 -42.03 33.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 0.0 109.431 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.9 t -67.85 -41.85 85.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.08 -40.43 94.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.224 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.05 95.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.077 -1.014 . . . . 0.0 109.91 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.68 88.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 57.6 t0 -59.88 -42.2 93.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.362 -0.836 . . . . 0.0 110.321 -178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 118.519 -1.272 . . . . 0.0 108.761 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.5 mtt -68.74 -41.75 78.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.715 -0.616 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.71 -39.94 95.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -61.74 -39.73 92.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.907 -1.12 . . . . 0.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -72.76 0.33 11.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 109.323 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.97 33.91 56.62 Favored Glycine 0 N--CA 1.492 2.412 0 O-C-N 120.768 -1.207 . . . . 0.0 110.996 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.65 140.23 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.5 m -59.96 141.12 56.14 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.997 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.7 p -53.91 -46.04 71.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.642 -1.286 . . . . 0.0 109.593 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.97 -49.69 75.93 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.976 -1.077 . . . . 0.0 109.276 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.8 m -68.26 -41.18 81.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.059 -1.026 . . . . 0.0 109.616 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.91 75.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 110.431 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -69.96 -39.85 75.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.535 -1.353 . . . . 0.0 109.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.1 90.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.841 -1.162 . . . . 0.0 108.823 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -48.85 79.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.19 -48.85 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.11 -30.91 70.65 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.806 -0.559 . . . . 0.0 109.577 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.03 25.5 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.97 -40.27 68.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.255 -1.144 . . . . 0.0 109.789 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.8 m-85 -100.83 137.0 39.8 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -85.36 67.68 10.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.972 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.72 156.37 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.282 -0.886 . . . . 0.0 109.779 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.7 t -72.6 132.02 43.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.48 93.31 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.013 -1.054 . . . . 0.0 109.967 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.8 t -63.6 -40.05 95.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 110.345 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 82.2 m -63.7 -50.72 68.07 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.691 -1.255 . . . . 0.0 109.485 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.56 -40.47 91.72 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.297 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -60.02 -48.51 81.43 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 0.0 110.069 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.06 -43.66 95.24 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.041 -1.037 . . . . 0.0 109.995 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.33 -40.02 85.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.589 -0.695 . . . . 0.0 110.473 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.127 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.36 -38.68 90.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.562 -1.336 . . . . 0.0 109.964 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.45 -38.82 81.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.57 -12.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.976 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.07 -39.71 82.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.823 -1.173 . . . . 0.0 109.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -72.86 -2.28 20.07 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.138 -0.977 . . . . 0.0 109.195 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.05 141.6 48.58 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -67.78 153.37 43.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.838 -1.164 . . . . 0.0 109.099 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 81.9 mttt -50.1 -51.35 62.99 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.018 -1.051 . . . . 0.0 112.419 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 5.5 Cg_endo -48.61 -40.97 38.05 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.641 1.56 . . . . 0.0 114.215 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 159' ' ' ASP . 6.7 p-10 -89.76 4.6 49.18 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.739 -1.225 . . . . 0.0 110.834 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.479 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.9 m0 -58.45 -39.92 81.22 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.854 -1.153 . . . . 0.0 108.923 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.78 68.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 109.329 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.58 64.03 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.213 -0.93 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.85 90.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.691 . . . . 0.0 110.212 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.23 -23.21 62.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 110.358 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.8 t -68.2 -40.95 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.95 130.59 36.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.496 -0.753 . . . . 0.0 109.642 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -178.35 20.89 0.04 OUTLIER Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -82.05 -9.53 59.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.327 -1.102 . . . . 0.0 109.898 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -59.74 141.76 47.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.69 121.48 25.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 0.0 109.733 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 59.5 m -104.03 12.17 34.43 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.451 -0.781 . . . . 0.0 109.734 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 172' ' ' ARG . 18.2 ptt180 -79.81 101.85 8.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.712 -1.242 . . . . 0.0 109.527 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -100.01 127.96 46.15 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.891 -1.131 . . . . 0.0 109.349 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 . . . . . 0 N--CA 1.497 1.894 0 O-C-N 120.94 -1.1 . . . . 0.0 109.594 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.32 140.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.325 -0.859 . . . . 0.0 108.689 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.56 107.51 12.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.18 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -69.98 149.82 96.34 Favored Pre-proline 0 N--CA 1.498 1.972 0 C-N-CA 117.646 -1.622 . . . . 0.0 107.237 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -61.43 148.74 92.2 Favored 'Trans proline' 0 N--CA 1.513 2.632 0 C-N-CA 122.148 1.899 . . . . 0.0 111.201 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.8 m -61.28 140.22 58.01 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.416 -1.428 . . . . 0.0 107.895 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD11 ' NE ' ' A' ' 89' ' ' ARG . 8.7 mp -92.7 89.18 6.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.881 -1.137 . . . . 0.0 108.978 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -175.01 -18.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.02 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.25 -43.49 6.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.126 -0.984 . . . . 0.0 111.874 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 141.16 37.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.088 -1.008 . . . . 0.0 110.106 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -98.58 0.95 45.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -107.59 169.54 8.52 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.999 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -69.87 110.21 4.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.043 -1.036 . . . . 0.0 108.631 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.442 ' NE ' HD11 ' A' ' 82' ' ' LEU . 2.2 tmt_? -62.71 -39.7 94.86 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.403 -0.811 . . . . 0.0 110.168 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' O ' ' OG ' ' A' ' 94' ' ' SER . 97.3 mt-10 -59.82 -39.81 86.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.223 -0.923 . . . . 0.0 111.483 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.93 -39.87 72.29 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.315 -1.491 . . . . 0.0 110.955 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.1 tp -77.38 -57.68 3.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.999 -1.063 . . . . 0.0 110.94 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -69.82 -30.71 68.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.223 -0.923 . . . . 0.0 111.62 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 61.0 m -60.23 -40.53 90.53 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.256 -1.527 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -61.13 -41.28 96.44 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.52 -46.31 90.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.548 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 59.0 t0 -56.72 -34.3 67.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.25 -0.906 . . . . 0.0 109.074 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.81 -0.58 51.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.859 -1.151 . . . . 0.0 109.574 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.66 152.56 44.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.445 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -72.83 158.95 34.56 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 102' ' ' SER . 39.3 p-10 -59.8 -40.21 87.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.723 -1.236 . . . . 0.0 109.876 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 71.6 m -60.46 -39.89 89.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.885 -1.134 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.66 -39.92 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.372 -0.83 . . . . 0.0 109.253 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.3 mtt180 -65.2 -40.86 94.75 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.835 -0.54 . . . . 0.0 110.082 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -62.09 -40.19 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.78 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.87 -49.07 79.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.724 -1.235 . . . . 0.0 108.877 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.39 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.306 -0.871 . . . . 0.0 109.514 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.65 -40.22 94.14 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.222 -0.924 . . . . 0.0 110.528 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.0 -40.47 96.42 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.078 -1.014 . . . . 0.0 110.486 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.484 ' O ' HG23 ' A' ' 114' ' ' VAL . 70.4 m95 -81.22 -9.73 59.73 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.265 -0.897 . . . . 0.0 111.471 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 17.9 tp -72.76 -45.57 9.15 Favored Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.445 -1.409 . . . . 0.0 112.262 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 47.1 Cg_endo -67.21 -26.78 41.87 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.858 1.342 . . . . 0.0 112.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.99 31.64 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.883 -1.136 . . . . 0.0 110.017 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 110' ' ' TRP . 38.6 t -70.03 -42.55 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.052 . . . . 0.0 108.406 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.09 -41.03 91.19 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.298 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.58 91.51 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.13 88.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.89 -1.131 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 58.9 t0 -59.09 -45.05 91.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.667 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.74 -40.14 88.22 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.153 -0.967 . . . . 0.0 109.102 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.29 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.398 -0.814 . . . . 0.0 109.368 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.18 -39.98 78.39 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.674 0.749 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.63 -37.17 80.59 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.456 -0.778 . . . . 0.0 110.062 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.99 -0.43 2.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.73 26.82 62.01 Favored Glycine 0 N--CA 1.497 2.766 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.817 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.66 139.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.961 -1.317 . . . . 0.0 108.957 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -55.64 141.16 38.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.213 -0.93 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.4 p -56.81 -48.71 77.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.993 -1.067 . . . . 0.0 110.381 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.14 -41.2 92.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.898 -1.126 . . . . 0.0 108.959 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.9 m -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.023 -1.048 . . . . 0.0 108.216 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.9 70.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.637 -0.664 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -69.93 -39.77 75.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.127 -0.983 . . . . 0.0 109.927 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.59 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.992 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.4 m -60.11 -43.98 95.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.639 -0.663 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.35 -47.37 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 109.822 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.98 68.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.92 -1.112 . . . . 0.0 109.276 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.7 -47.6 47.74 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -78.15 -41.33 35.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.125 -1.221 . . . . 0.0 108.921 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -96.68 131.62 43.17 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.54 -0.725 . . . . 0.0 110.067 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -85.07 62.28 7.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.161 -0.962 . . . . 0.0 110.16 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.3 160.22 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 71.2 m -72.11 134.61 45.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.463 -0.773 . . . . 0.0 109.112 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.51 91.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.071 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.5 t -64.13 -40.14 95.53 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.453 -0.779 . . . . 0.0 110.943 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.0 m -61.55 -50.0 74.44 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.624 -1.298 . . . . 0.0 110.875 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.5 -40.84 92.85 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.85 -1.156 . . . . 0.0 109.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.925 -0.484 . . . . 0.0 110.459 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.95 -40.31 95.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.825 -1.172 . . . . 0.0 109.898 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.37 -38.6 81.54 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -59.7 -46.6 88.6 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.176 -0.952 . . . . 0.0 110.471 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -67.73 -39.56 84.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.913 -1.117 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -59.94 -39.92 87.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.81 -4.85 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.084 -1.01 . . . . 0.0 109.985 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.88 -39.85 82.64 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 154' ' ' LYS . 2.9 mppt? -77.83 -4.83 48.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 110.561 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PHE . . . . . 0.454 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 86.1 m-85 -109.87 141.14 42.98 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -53.23 148.76 8.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.351 -0.843 . . . . 0.0 109.182 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 37.2 mttp -59.42 -42.63 93.44 Favored Pre-proline 0 C--N 1.304 -1.398 0 O-C-N 121.552 -0.717 . . . . 0.0 112.605 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 55.6 Cg_endo -68.32 -32.48 26.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.777 1.313 . . . . 0.0 113.897 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 5.8 p-10 -83.78 1.81 41.11 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.719 -1.238 . . . . 0.0 109.787 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 m0 -58.63 -39.21 79.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.207 -0.933 . . . . 0.0 109.121 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.4 71.59 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.499 -0.75 . . . . 0.0 109.594 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.21 -32.44 66.76 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.616 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.2 68.62 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.901 -1.124 . . . . 0.0 109.739 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.3 -37.22 77.7 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.086 -1.009 . . . . 0.0 111.299 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 166' ' ' ASP . 2.4 m -70.98 -100.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 119.956 -1.715 . . . . 0.0 110.534 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.501 ' H ' HG23 ' A' ' 165' ' ' VAL . 96.1 m-20 -83.97 124.94 31.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.604 -1.31 . . . . 0.0 110.158 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -99.82 148.35 18.52 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -85.19 139.91 31.3 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -1.122 . . . . 0.0 108.858 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -157.23 -9.34 0.06 OUTLIER Glycine 0 N--CA 1.495 2.575 0 C-N-CA 119.903 -1.142 . . . . 0.0 110.485 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.36 135.81 36.81 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.287 -1.125 . . . . 0.0 110.016 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 74.1 m -99.71 110.34 22.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -108.88 5.84 24.84 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.858 -0.526 . . . . 0.0 109.909 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -90.99 -1.86 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.047 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 76' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.122 0.486 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.8 mt -63.97 142.48 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -144.82 122.91 12.12 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.958 -1.089 . . . . 0.0 110.239 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -59.92 -32.65 12.51 Favored Pre-proline 0 C--N 1.307 -1.281 0 C-N-CA 118.163 -1.415 . . . . 0.0 111.888 -179.454 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 32.7 Cg_exo -59.97 148.91 87.02 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 121.534 1.49 . . . . 0.0 110.939 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -60.07 140.27 56.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.881 -1.137 . . . . 0.0 109.773 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 mt -87.94 137.87 31.95 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.977 -1.077 . . . . 0.0 110.214 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -131.38 10.49 4.84 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.91 3.79 28.38 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.86 -1.15 . . . . 0.0 110.319 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' CE2' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -136.77 177.87 7.52 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.331 -0.856 . . . . 0.0 110.247 -178.527 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -119.46 10.85 11.98 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 85' ' ' HIS . 53.0 p90 -98.77 156.86 16.64 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.466 -1.396 . . . . 0.0 109.763 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.97 110.27 0.89 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.131 -0.98 . . . . 0.0 109.703 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.278 -0.889 . . . . 0.0 110.497 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.27 -30.29 70.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.27 -0.894 . . . . 0.0 112.05 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.83 -52.65 63.28 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.68 -1.262 . . . . 0.0 111.564 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.9 tp -84.56 -45.88 12.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.65 -1.281 . . . . 0.0 111.337 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -67.24 -27.68 67.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.573 -1.329 . . . . 0.0 111.821 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -59.82 -39.95 86.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.313 -1.492 . . . . 0.0 108.473 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.23 -42.59 95.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 108.333 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.476 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 3.6 t-105 -62.47 -47.7 82.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.542 -0.724 . . . . 0.0 110.372 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.82 -36.85 70.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.086 -1.009 . . . . 0.0 109.698 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -81.54 -6.0 58.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.142 -0.974 . . . . 0.0 109.633 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.414 ' C ' HH12 ' A' ' 104' ' ' ARG . . . -67.15 152.14 46.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.002 -1.061 . . . . 0.0 108.898 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -75.04 162.39 28.61 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.958 -1.089 . . . . 0.0 109.128 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.73 -39.76 85.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.006 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.4 p -59.96 -39.93 87.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 110.205 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.14 -40.07 95.36 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.091 -1.006 . . . . 0.0 110.521 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.414 HH12 ' C ' ' A' ' 99' ' ' ALA . 46.0 mtm-85 -65.45 -40.0 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.739 -1.226 . . . . 0.0 109.628 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 105' ' ' ARG . 0.2 OUTLIER -59.99 -43.79 94.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.262 -0.899 . . . . 0.0 109.101 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.19 -48.67 80.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.508 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.51 86.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.102 . . . . 0.0 108.892 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.89 -38.33 81.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.433 -0.792 . . . . 0.0 109.459 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.59 -39.99 94.73 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.25 -0.906 . . . . 0.0 111.044 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.52 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 m95 -82.7 -6.24 59.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.147 -0.971 . . . . 0.0 111.714 -177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 4.4 tp -77.16 -46.69 2.71 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 120.006 -1.684 . . . . 0.0 111.314 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.8 Cg_endo -67.12 -26.66 42.6 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.197 1.265 . . . . 0.0 112.497 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.12 -39.99 62.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.033 -1.042 . . . . 0.0 109.405 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.3 t -69.16 -45.09 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.68 -40.21 96.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.927 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.23 84.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.061 -1.024 . . . . 0.0 108.618 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.44 91.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.431 -0.793 . . . . 0.0 110.195 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.9 -42.54 94.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.875 -1.14 . . . . 0.0 109.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.76 -40.32 92.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.358 -0.839 . . . . 0.0 108.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.49 -40.05 95.43 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.586 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.01 -40.0 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.07 -40.18 88.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.035 -1.041 . . . . 0.0 109.087 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -70.2 -6.91 37.82 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.93 30.31 68.13 Favored Glycine 0 N--CA 1.496 2.699 0 O-C-N 121.112 -0.992 . . . . 0.0 111.095 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.46 146.42 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.865 -1.374 . . . . 0.0 109.126 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.2 t -49.87 137.99 15.72 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.937 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.4 p -59.17 -45.58 90.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 109.757 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -56.29 -48.81 75.9 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 108.812 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.2 m -68.17 -41.12 81.97 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.329 -0.857 . . . . 0.0 110.514 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.0 75.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.856 -1.152 . . . . 0.0 110.447 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.517 ' CE2' ' NH1' ' A' ' 146' ' ' ARG . 54.7 m-85 -67.61 -39.95 84.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.007 -1.058 . . . . 0.0 110.228 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.24 93.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -0.944 . . . . 0.0 109.548 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.9 m -61.15 -40.54 94.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.072 -1.017 . . . . 0.0 109.47 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.94 -42.29 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 0.0 108.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.23 -36.68 84.86 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.4 -0.813 . . . . 0.0 109.254 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.37 79.89 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.47 -44.52 35.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.409 -1.054 . . . . 0.0 109.75 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 135' ' ' ALA . 89.7 m-85 -97.2 139.17 33.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.243 -0.911 . . . . 0.0 109.571 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -82.93 61.02 5.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.409 -0.807 . . . . 0.0 108.902 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 159.53 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.547 -0.721 . . . . 0.0 109.624 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 p -78.81 132.16 36.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 108.578 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.09 94.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.747 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 57.9 m -61.59 -40.95 96.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.185 -0.947 . . . . 0.0 110.565 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.8 m -65.38 -45.74 82.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.964 -1.085 . . . . 0.0 109.563 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.468 HD11 HG22 ' A' ' 114' ' ' VAL . 59.6 tp -59.98 -38.64 83.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 109.411 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.517 ' NH1' ' CE2' ' A' ' 131' ' ' PHE . 26.5 ttm-85 -59.23 -50.03 75.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.03 -1.044 . . . . 0.0 110.026 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.98 -40.72 96.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.311 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -39.64 86.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.511 -0.743 . . . . 0.0 111.623 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -59.86 -46.32 89.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.75 -1.219 . . . . 0.0 110.17 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.43 -37.44 83.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.753 -1.217 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.18 -39.95 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 111.117 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.83 -10.03 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.924 -1.11 . . . . 0.0 109.698 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.9 -38.66 79.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.273 -0.892 . . . . 0.0 109.085 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.42 -9.89 59.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.338 -0.851 . . . . 0.0 110.71 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.85 145.96 29.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.916 -1.115 . . . . 0.0 110.08 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.16 41.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.739 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 90.3 mttt -49.53 -52.57 48.97 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 121.516 -0.74 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 29.7 Cg_endo -60.04 -26.16 81.67 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.413 1.409 . . . . 0.0 112.298 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.458 ' OD1' ' OH ' ' A' ' 87' ' ' TYR . 96.5 m-20 -87.02 -3.21 59.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.092 -1.005 . . . . 0.0 110.477 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.055 -1.028 . . . . 0.0 109.647 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.888 -1.133 . . . . 0.0 108.695 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 166' ' ' ASP . . . -75.37 -30.64 60.24 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.33 71.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.978 -1.076 . . . . 0.0 110.515 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.83 -39.62 76.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.251 -0.906 . . . . 0.0 112.13 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.18 -41.64 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.581 -1.324 . . . . 0.0 110.128 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 162' ' ' ALA . 3.2 p30 -87.48 158.65 18.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.161 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -152.72 2.66 0.31 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -84.03 132.21 34.75 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -1.084 . . . . 0.0 108.638 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -63.78 135.46 41.11 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.51 -12.04 59.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 110.065 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.4 t -147.25 145.25 29.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.241 -0.912 . . . . 0.0 109.808 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -116.77 127.28 54.19 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -90.67 -74.79 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.416 -0.802 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.844 0 O-C-N 120.903 -1.123 . . . . 0.0 109.721 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.6 ttm . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 77' ' ' ILE . 21.2 pt -60.39 140.07 18.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.75 -91.66 0.09 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.653 -1.28 . . . . 0.0 110.052 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.569 HH11 ' CG ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -59.95 148.93 75.64 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.13 142.69 97.66 Favored 'Trans proline' 0 N--CA 1.503 2.059 0 CA-C-N 120.742 1.301 . . . . 0.0 113.09 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -157.25 100.71 1.85 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.032 -1.042 . . . . 0.0 108.234 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 tp -151.01 11.32 0.64 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.748 -1.22 . . . . 0.0 110.201 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -58.18 139.42 54.94 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.543 -1.348 . . . . 0.0 108.993 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.3 92.51 3.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.703 -1.248 . . . . 0.0 107.854 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -42.12 95.32 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.296 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 1.7 t70 -148.2 -14.35 0.35 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.884 -1.135 . . . . 0.0 108.258 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 16.5 p90 -151.05 159.98 44.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.307 -0.871 . . . . 0.0 108.811 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 22.9 p-10 -99.24 115.73 29.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.976 -1.078 . . . . 0.0 109.438 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.63 ' NH1' ' HE1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -107.87 27.15 9.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.226 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -41.02 91.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 108.615 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.57 93.53 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.54 -49.57 77.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.162 -0.961 . . . . 0.0 109.453 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.63 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 70.6 m95 -67.8 -29.42 68.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -58.94 -39.07 80.5 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.612 -1.305 . . . . 0.0 108.014 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -61.58 -40.13 93.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.295 -0.878 . . . . 0.0 109.051 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 5.0 t-105 -60.45 -48.29 82.39 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 64.8 t0 -57.49 -35.82 70.69 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -83.72 -6.76 59.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 108.958 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 147.69 52.53 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.036 -1.04 . . . . 0.0 109.368 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.1 t -74.06 162.38 29.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.554 -0.716 . . . . 0.0 109.443 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.26 -41.13 88.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.93 -1.106 . . . . 0.0 109.684 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.229 -0.919 . . . . 0.0 109.402 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.13 -40.74 94.86 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.161 -0.962 . . . . 0.0 109.054 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -68.54 -39.95 80.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.036 . . . . 0.0 109.747 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.237 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.91 -48.46 81.59 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.31 88.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.399 -0.813 . . . . 0.0 109.197 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.68 -40.29 94.47 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.896 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -64.63 -39.63 94.04 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 111.079 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.541 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 61.5 m95 -80.95 -10.24 59.74 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.256 -0.903 . . . . 0.0 110.799 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.8 tp -71.3 -47.04 13.86 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 120.519 -1.363 . . . . 0.0 111.869 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 37.8 Cg_endo -63.23 -29.6 73.53 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 CA-C-N 120.718 1.292 . . . . 0.0 112.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.56 -43.76 30.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.696 -1.252 . . . . 0.0 109.801 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 110' ' ' TRP . 41.3 t -70.1 -40.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.874 -1.141 . . . . 0.0 109.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -67.24 -40.17 86.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.211 -0.931 . . . . 0.0 109.627 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.25 95.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.608 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.01 89.03 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.22 -44.61 92.3 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.136 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 88.1 tt0 -61.01 -40.19 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.463 -0.773 . . . . 0.0 109.379 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.38 -40.03 92.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.085 -1.009 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -40.29 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.281 -0.887 . . . . 0.0 111.151 -177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.7 p30 -68.51 -17.45 64.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.845 -1.159 . . . . 0.0 110.167 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 41.3 tp60 -81.62 -1.02 45.06 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.25 21.39 78.51 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.168 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.89 149.36 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.923 -1.339 . . . . 0.0 109.102 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.6 m -59.9 141.04 56.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 p -58.54 -42.57 88.13 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.243 0.544 . . . . 0.0 110.122 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.11 -45.94 91.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.943 -1.098 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.6 m -69.18 -39.97 78.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.967 -1.083 . . . . 0.0 108.903 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.96 71.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.393 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.75 -39.21 76.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.83 93.35 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.2 m -60.85 -42.03 97.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 109.951 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.88 -42.97 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.969 -1.082 . . . . 0.0 109.291 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.86 -31.06 71.79 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 109.171 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.55 -44.65 63.11 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -79.21 -42.7 25.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.1 m-85 -99.84 136.65 39.44 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -86.54 69.12 10.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.285 -0.884 . . . . 0.0 109.623 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.86 157.25 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.709 -0.619 . . . . 0.0 109.652 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.6 t -74.12 130.34 39.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.501 -0.749 . . . . 0.0 110.432 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.02 -1.05 . . . . 0.0 109.331 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -63.53 -40.78 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.835 -1.165 . . . . 0.0 110.22 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 95.8 m -64.31 -51.96 60.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.589 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.77 -40.77 93.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 110.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -60.13 -50.89 71.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.999 -1.063 . . . . 0.0 110.621 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.41 -41.54 97.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.098 -1.001 . . . . 0.0 109.594 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.541 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 51.6 mtpt -63.56 -38.51 91.41 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.664 -0.648 . . . . 0.0 110.588 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -60.06 -42.6 94.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.132 -0.98 . . . . 0.0 109.596 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -69.54 -38.42 77.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.905 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.18 -39.0 84.96 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -77.8 -8.22 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.66 -1.275 . . . . 0.0 111.512 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.95 -37.23 78.93 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.107 -0.996 . . . . 0.0 110.292 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -76.85 -10.3 59.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.277 -0.89 . . . . 0.0 109.978 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.88 143.5 33.07 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.391 -0.818 . . . . 0.0 109.061 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.47 146.64 39.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 66.6 mttt -49.79 -49.77 71.54 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 0.0 111.439 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 50.6 Cg_endo -68.12 -20.01 44.35 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 120.463 1.201 . . . . 0.0 111.797 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 54.1 t0 -83.39 -9.4 59.06 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.528 -0.732 . . . . 0.0 109.357 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -57.6 -39.98 78.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.125 -0.985 . . . . 0.0 110.021 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.35 79.05 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.733 -1.23 . . . . 0.0 109.784 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -32.51 62.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.11 71.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.167 -0.958 . . . . 0.0 110.096 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.48 -8.93 57.94 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.173 -0.955 . . . . 0.0 110.092 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.77 -26.01 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.53 117.26 21.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.039 -1.038 . . . . 0.0 109.594 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -90.87 -154.64 30.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -82.1 126.38 31.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.411 -1.052 . . . . 0.0 109.236 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -84.18 138.93 17.84 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -82.89 112.13 19.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.955 -1.321 . . . . 0.0 109.541 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 86.3 p -159.9 161.26 34.28 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -112.66 130.08 56.17 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.8 132.43 39.59 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.318 -0.864 . . . . 0.0 108.889 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.658 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.637 ' N ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -30.36 45.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.28 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.56 99.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.081 -1.637 . . . . 0.0 109.582 -176.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.637 ' NH1' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.03 149.96 72.02 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -70.36 149.99 63.92 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 CA-C-N 120.195 1.105 . . . . 0.0 112.54 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.919 HG21 ' HE1' ' A' ' 93' ' ' TRP . 7.0 m -79.6 -9.85 59.7 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.12 -0.988 . . . . 0.0 110.381 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.2 130.1 39.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.464 1.126 . . . . 0.0 110.857 -176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.631 ' H ' ' CE1' ' A' ' 85' ' ' HIS . 12.1 tp10 -172.56 -126.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.21 116.73 29.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.242 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.656 ' CE1' ' NE ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -172.3 125.23 0.51 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.123 -0.986 . . . . 0.0 109.015 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 45.4 t0 -76.97 -14.74 59.81 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 17.6 p90 -96.94 140.3 31.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.392 -0.817 . . . . 0.0 109.45 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.24 127.59 33.6 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.968 -1.083 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.656 ' NE ' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -86.23 -22.24 27.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.423 -0.798 . . . . 0.0 110.309 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 48.7 mp0 -60.0 -44.16 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.572 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.77 84.36 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.959 -1.088 . . . . 0.0 109.136 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.08 -49.9 75.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.097 -1.002 . . . . 0.0 109.353 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.919 ' HE1' HG21 ' A' ' 81' ' ' THR . 79.2 m95 -68.33 -30.13 69.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -39.32 85.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.883 -1.136 . . . . 0.0 109.064 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.88 -40.0 94.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.569 -1.332 . . . . 0.0 108.618 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.493 ' CZ2' ' NE ' ' A' ' 104' ' ' ARG . 4.4 t-105 -60.85 -46.2 91.51 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.94 -40.27 88.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.27 -0.894 . . . . 0.0 110.226 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.16 -1.4 58.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.508 -0.745 . . . . 0.0 109.831 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 160.84 31.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.252 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.3 t -71.9 154.06 41.47 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.776 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -60.01 -39.93 87.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.736 . . . . 0.0 109.285 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.1 p -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 109.932 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.8 -40.52 92.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.944 -1.097 . . . . 0.0 109.876 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.493 ' NE ' ' CZ2' ' A' ' 96' ' ' TRP . 61.2 mtp180 -63.1 -38.23 90.36 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.88 -1.138 . . . . 0.0 109.317 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -60.69 -41.83 95.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.121 -0.987 . . . . 0.0 109.77 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.013 -1.054 . . . . 0.0 109.266 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.01 94.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.719 -1.238 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.62 -39.97 93.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 0.0 109.41 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.94 -40.95 97.62 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.19 -0.944 . . . . 0.0 111.988 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -85.47 -7.64 58.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.902 -1.124 . . . . 0.0 111.537 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.6 tp -73.63 -45.63 7.27 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.616 -1.302 . . . . 0.0 112.171 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 23.8 Cg_endo -61.34 -27.34 82.87 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 CA-C-N 121.274 1.491 . . . . 0.0 110.526 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.63 -46.15 19.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.633 -0.667 . . . . 0.0 109.783 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 115' ' ' GLN . 0.8 OUTLIER -68.3 -42.84 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.982 -1.074 . . . . 0.0 110.147 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.442 ' N ' ' CG1' ' A' ' 114' ' ' VAL . 12.7 tt0 -63.03 -40.19 96.99 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 108.687 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.95 93.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.398 -0.814 . . . . 0.0 109.323 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.4 -43.92 92.89 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 0.0 109.205 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.71 -40.4 92.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.266 -0.896 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.83 -40.08 91.44 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.943 -1.098 . . . . 0.0 108.983 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.65 -39.11 91.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.274 -0.891 . . . . 0.0 109.198 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.6 -40.0 90.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.829 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.35 -1.88 17.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.216 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.43 36.8 69.47 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 120.973 -1.079 . . . . 0.0 111.587 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.7 mt -82.32 148.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.989 -1.301 . . . . 0.0 109.01 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -56.86 139.68 50.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 108.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -56.61 -44.43 81.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.239 -0.913 . . . . 0.0 110.575 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.48 -43.99 93.16 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.93 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.0 m -70.52 -42.13 71.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.034 -1.041 . . . . 0.0 109.923 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.82 70.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.26 -0.9 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.15 -39.49 89.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.125 -0.984 . . . . 0.0 108.828 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.918 -1.113 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.2 m -61.52 -44.85 96.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.188 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.82 -40.1 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 120.908 -1.12 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.14 -27.41 66.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.227 -0.921 . . . . 0.0 108.81 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.27 -47.05 13.65 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -69.25 -40.76 77.66 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.939 -1.33 . . . . 0.0 109.408 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.7 m-85 -105.52 136.95 44.17 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.885 -0.51 . . . . 0.0 109.777 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -78.96 66.91 4.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.288 -0.883 . . . . 0.0 108.676 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.16 158.54 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.8 m -76.34 129.32 36.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 108.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.15 87.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.92 -1.112 . . . . 0.0 109.311 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.3 m -64.12 -40.08 95.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.398 -0.814 . . . . 0.0 110.478 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.3 m -64.7 -49.92 68.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.149 -0.969 . . . . 0.0 109.719 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.08 -41.7 93.02 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.518 -0.739 . . . . 0.0 109.638 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.6 -50.37 74.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.514 -0.741 . . . . 0.0 110.174 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.35 -41.1 96.51 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.083 -1.01 . . . . 0.0 109.847 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.26 -35.3 75.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.7 -39.97 86.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.133 -0.979 . . . . 0.0 109.871 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -68.85 -37.63 79.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 109.668 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -39.38 85.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.681 -0.637 . . . . 0.0 110.879 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.421 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 20.8 m -77.67 -10.79 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.721 -1.237 . . . . 0.0 110.786 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.08 -37.29 79.47 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.845 -1.159 . . . . 0.0 109.458 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.16 -11.02 59.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 0.0 109.132 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.73 140.5 37.97 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.195 -0.941 . . . . 0.0 109.577 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.31 145.0 33.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.046 -1.034 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 7.9 mtmp? -47.26 -50.83 45.95 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.829 -0.545 . . . . 0.0 110.964 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 48.8 Cg_endo -65.8 -27.73 51.63 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 CA-C-N 120.536 1.227 . . . . 0.0 111.151 178.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.592 ' OD1' HG21 ' A' ' 81' ' ' THR . 82.4 m-20 -80.52 -6.09 57.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 152' ' ' VAL . 31.0 m0 -59.9 -40.24 88.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.002 -1.062 . . . . 0.0 109.914 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.028 -1.045 . . . . 0.0 108.882 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -71.97 -37.05 69.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.3 71.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.261 -0.899 . . . . 0.0 111.728 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 58.7 mt -73.93 0.12 14.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.101 -1.0 . . . . 0.0 111.094 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 162' ' ' ALA . 25.2 m -70.82 -17.13 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.629 -1.295 . . . . 0.0 109.131 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -83.67 113.65 21.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -119.0 167.66 13.2 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.77 139.05 36.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.176 -1.191 . . . . 0.0 109.277 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -155.66 -90.39 0.08 OUTLIER Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -77.21 136.9 38.58 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.415 -1.05 . . . . 0.0 108.944 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 44.8 m -126.99 140.11 52.55 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.49 ' HG2' HH11 ' A' ' 172' ' ' ARG . 43.3 mtt-85 -79.6 147.81 31.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.569 -0.707 . . . . 0.0 109.352 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.412 ' NH1' ' HG3' ' A' ' 173' ' ' ARG . 7.2 ptm180 -90.45 -5.58 55.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.23 -0.919 . . . . 0.0 109.941 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.498 1.934 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 mmt . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 78' ' ' ALA . 3.7 mt 55.73 -139.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.582 ' H ' HG22 ' A' ' 77' ' ' ILE . . . -161.58 35.47 0.13 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.826 -1.171 . . . . 0.0 107.933 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -69.69 149.74 96.76 Favored Pre-proline 0 C--N 1.294 -1.827 0 C-N-CA 118.144 -1.422 . . . . 0.0 108.531 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -69.59 150.02 68.68 Favored 'Trans proline' 0 N--CA 1.509 2.429 0 C-N-CA 122.862 2.374 . . . . 0.0 110.746 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.6 m -59.49 141.55 54.52 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.127 -1.608 . . . . 0.0 110.5 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.639 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -141.95 159.98 41.13 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.78 0.8 . . . . 0.0 109.394 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 18.3 pt-20 -136.55 133.27 36.26 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.414 ' N ' ' NH1' ' A' ' 89' ' ' ARG . . . -45.15 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.855 -1.153 . . . . 0.0 109.816 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.19 -64.2 1.19 Allowed 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.116 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -127.82 0.12 6.03 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.579 0.704 . . . . 0.0 109.346 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 15.6 p90 -156.99 163.26 39.3 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -99.9 117.8 34.96 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.984 -1.072 . . . . 0.0 109.638 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.841 ' NE ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -72.15 -18.1 61.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 110.531 -179.258 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -56.86 -39.93 75.19 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 120.601 -1.312 . . . . 0.0 109.22 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.65 94.66 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.92 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.49 -46.47 66.52 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.292 -0.88 . . . . 0.0 110.12 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -67.57 -30.65 70.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.0 t -59.99 -39.9 87.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.851 -1.156 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.03 -39.86 96.02 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.842 -1.161 . . . . 0.0 108.438 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.535 ' NE1' HD11 ' A' ' 77' ' ' ILE . 3.3 t-105 -60.52 -44.66 95.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.657 -0.652 . . . . 0.0 109.368 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 58.4 t0 -54.11 -35.75 62.48 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.498 -0.751 . . . . 0.0 109.137 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -85.74 -9.15 57.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.794 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.65 142.01 58.2 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.837 -1.164 . . . . 0.0 108.65 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.5 p -71.5 162.27 29.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 109.993 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 102' ' ' SER . 37.3 p-10 -59.92 -39.85 86.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.483 -0.76 . . . . 0.0 109.858 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.57 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 80.2 p -59.94 -40.02 87.5 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.873 -1.142 . . . . 0.0 108.805 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -65.4 -39.91 92.79 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.357 -0.839 . . . . 0.0 108.742 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -66.15 -39.96 90.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.688 -0.633 . . . . 0.0 110.556 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -60.75 -42.38 97.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.518 -0.739 . . . . 0.0 109.931 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.24 -50.75 72.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.16 89.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.207 -0.933 . . . . 0.0 109.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.31 -39.67 87.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.408 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -64.95 -40.08 94.48 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.227 -0.92 . . . . 0.0 110.804 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.518 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.2 m95 -80.57 -10.3 59.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.501 -0.749 . . . . 0.0 111.367 -178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 36.6 tp -73.33 -48.13 7.38 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.462 -1.398 . . . . 0.0 111.461 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 58.2 Cg_endo -68.89 -24.62 33.64 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 120.998 1.392 . . . . 0.0 112.75 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.44 39.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.912 -1.117 . . . . 0.0 110.157 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.3 t -70.49 -42.8 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.26 -42.61 96.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.0 97.46 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.52 94.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 108.884 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -42.05 84.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.463 -0.773 . . . . 0.0 110.045 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.48 -40.02 94.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.958 -1.089 . . . . 0.0 109.378 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 75.6 mtp -61.69 -39.98 93.38 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.943 -1.098 . . . . 0.0 110.05 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.25 -37.37 87.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 0.0 109.194 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -38.44 82.72 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 109.848 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -73.99 -5.62 42.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.986 -1.071 . . . . 0.0 108.484 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.27 35.96 56.22 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.455 -0.778 . . . . 0.0 111.207 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.1 140.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.273 -1.134 . . . . 0.0 109.226 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -47.96 131.99 15.3 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.055 -1.028 . . . . 0.0 109.78 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 p -57.65 -41.61 81.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.482 -0.761 . . . . 0.0 110.748 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.78 -48.26 82.39 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.651 -1.28 . . . . 0.0 108.556 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.4 m -67.86 -40.53 83.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.923 -1.111 . . . . 0.0 108.921 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.59 73.1 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.387 -0.821 . . . . 0.0 110.728 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -67.78 -40.11 84.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.758 -1.214 . . . . 0.0 109.512 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.6 93.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.979 -1.076 . . . . 0.0 110.117 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -61.35 -42.05 98.06 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.063 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.1 t -66.48 -46.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.794 -0.566 . . . . 0.0 109.891 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.16 -38.55 86.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.756 -1.215 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.26 -44.73 90.19 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -75.4 -44.96 41.88 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.172 -1.193 . . . . 0.0 110.071 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 83.7 m-85 -95.77 137.69 34.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.235 -0.916 . . . . 0.0 108.757 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.05 60.1 5.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.663 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.68 157.45 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-O 121.638 0.733 . . . . 0.0 109.605 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.9 m -73.09 134.94 44.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.566 -0.709 . . . . 0.0 109.738 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.36 85.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.983 -1.073 . . . . 0.0 108.54 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.3 t -63.52 -40.68 97.67 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.503 -0.748 . . . . 0.0 110.619 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.4 m -61.95 -50.01 73.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.347 -0.846 . . . . 0.0 110.052 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.59 -40.51 92.03 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.122 -0.986 . . . . 0.0 109.91 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.19 -51.95 67.41 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.164 -0.96 . . . . 0.0 110.443 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.6 -43.97 96.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 0.0 110.523 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -68.32 -37.13 80.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.829 -1.169 . . . . 0.0 111.105 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.65 -49.67 75.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 109.847 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -64.26 -38.65 91.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.082 -1.011 . . . . 0.0 108.607 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.86 -41.83 92.34 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 110.207 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -81.58 -16.62 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.572 -1.33 . . . . 0.0 109.66 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -59.64 -36.48 76.45 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.333 -0.855 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -75.89 -11.92 60.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.434 -0.791 . . . . 0.0 109.824 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.26 145.51 35.79 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.248 -0.908 . . . . 0.0 109.453 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -57.44 147.08 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.428 -0.795 . . . . 0.0 109.565 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 3.4 mttm -60.96 -43.12 90.19 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 111.06 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 86.4 Cg_exo -49.47 -38.85 44.76 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.994 1.796 . . . . 0.0 113.143 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.59 2.56 54.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 111.738 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -57.47 -42.17 82.07 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.937 -1.102 . . . . 0.0 109.332 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.106 . . . . 0.0 109.058 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.39 49.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 110.46 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.83 68.1 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.716 -1.24 . . . . 0.0 110.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.05 -30.06 67.23 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.067 -1.021 . . . . 0.0 112.94 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 166' ' ' ASP . 1.3 m -68.84 -98.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.11 -1.619 . . . . 0.0 109.851 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.515 ' H ' HG23 ' A' ' 165' ' ' VAL . 41.4 t0 -87.23 119.79 27.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.617 -1.302 . . . . 0.0 110.138 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 177.83 54.11 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -85.37 130.1 34.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -1.226 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -126.39 145.52 15.77 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 108.399 -1.881 . . . . 0.0 108.399 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.34 129.4 34.43 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.367 -1.078 . . . . 0.0 109.472 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.7 t -100.46 166.41 10.95 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -81.22 104.92 12.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.978 -1.076 . . . . 0.0 109.231 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -0.04 47.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.302 -0.874 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.904 -1.122 . . . . 0.0 109.62 -179.811 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.739 0.78 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.38 140.54 18.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 O-C-N 120.886 -1.133 . . . . 0.0 110.255 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -127.86 82.56 2.09 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 149.97 96.16 Favored Pre-proline 0 C--N 1.293 -1.85 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -176.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -69.48 149.98 69.36 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.893 2.395 . . . . 0.0 110.755 -178.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.5 m -60.49 144.97 50.08 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -178.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.12 114.89 22.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.664 -1.273 . . . . 0.0 109.565 -177.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.96 -92.61 0.15 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.44 141.3 54.07 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -149.4 86.62 1.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.908 -1.12 . . . . 0.0 111.467 -179.133 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -62.75 -35.95 81.48 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 176.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 87' ' ' TYR . 11.7 p90 -119.93 113.71 20.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -83.41 111.37 18.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.573 -1.33 . . . . 0.0 109.158 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 43.94 1.85 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.466 -0.771 . . . . 0.0 109.463 -179.397 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -60.48 -40.51 91.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.932 -1.105 . . . . 0.0 109.556 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.02 88.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.051 -1.031 . . . . 0.0 108.608 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -52.23 -57.3 10.12 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.229 -0.919 . . . . 0.0 109.606 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.89 -34.93 74.2 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.533 -0.729 . . . . 0.0 110.302 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -60.49 -41.91 95.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.927 -1.108 . . . . 0.0 108.481 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.18 -40.02 88.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.472 -0.767 . . . . 0.0 108.939 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.5 t-105 -61.14 -48.24 82.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.97 -1.082 . . . . 0.0 109.454 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 60.7 t0 -58.23 -36.13 72.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.218 -0.927 . . . . 0.0 109.193 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -83.74 -3.36 57.74 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.077 -1.014 . . . . 0.0 110.187 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.52 154.22 42.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.142 -0.974 . . . . 0.0 110.02 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.1 p -70.82 160.06 33.44 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.392 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 102' ' ' SER . 40.3 p-10 -60.97 -39.83 91.08 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.121 -0.987 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 23.1 t -60.01 -39.8 87.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.961 -1.087 . . . . 0.0 110.269 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -39.94 95.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.439 -0.788 . . . . 0.0 109.0 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 91.8 mtt180 -65.6 -40.19 92.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.291 -179.25 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.86 -40.07 83.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.899 -1.126 . . . . 0.0 110.213 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -40.57 94.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.12 -0.988 . . . . 0.0 108.574 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.01 88.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.88 . . . . 0.0 109.685 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.83 -40.05 91.33 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.457 -0.777 . . . . 0.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -67.95 -39.91 83.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.536 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.524 ' O ' HG23 ' A' ' 114' ' ' VAL . 65.4 m95 -81.02 -9.48 59.83 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.036 -1.04 . . . . 0.0 111.677 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 6.3 tp -75.4 -48.21 4.15 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 120.333 -1.479 . . . . 0.0 111.819 -178.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.5 Cg_endo -66.84 -27.84 43.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 CA-C-N 121.108 1.431 . . . . 0.0 112.392 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.05 -42.15 57.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.766 -1.209 . . . . 0.0 110.167 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -68.48 -42.5 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.074 -1.016 . . . . 0.0 109.051 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.41 -40.1 92.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.043 -1.036 . . . . 0.0 108.859 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.71 94.72 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.225 -0.922 . . . . 0.0 109.832 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.46 85.64 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.492 -0.755 . . . . 0.0 108.972 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 6.9 t70 -57.56 -47.36 82.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.328 -0.857 . . . . 0.0 109.646 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.66 -40.3 96.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.047 -1.033 . . . . 0.0 110.22 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.41 -40.11 81.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.983 -1.073 . . . . 0.0 109.655 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.5 -36.41 81.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.107 . . . . 0.0 109.704 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 94.7 m-20 -60.04 -39.87 87.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.053 -1.029 . . . . 0.0 109.81 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -65.8 -5.21 8.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.0 109.083 -179.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.82 66.48 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.111 -0.993 . . . . 0.0 111.009 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.26 149.26 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.895 -1.356 . . . . 0.0 108.841 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -49.51 133.21 20.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 0.0 109.92 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -57.81 -42.86 85.15 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.693 0.759 . . . . 0.0 109.405 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -59.32 -47.27 86.03 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.033 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.0 m -66.87 -40.91 87.98 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.801 -1.187 . . . . 0.0 109.31 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.75 -54.22 47.86 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -67.12 -39.97 86.75 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.153 -0.967 . . . . 0.0 109.6 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.22 86.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.697 -1.252 . . . . 0.0 109.377 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.3 m -65.12 -42.16 94.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.76 -42.19 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.105 -0.997 . . . . 0.0 109.479 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.64 -30.26 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.85 -1.156 . . . . 0.0 109.065 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.07 -46.87 57.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -73.42 -43.75 59.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.012 -1.287 . . . . 0.0 108.958 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -97.56 130.7 44.59 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.554 -0.716 . . . . 0.0 109.588 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.05 61.71 4.0 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.721 -1.237 . . . . 0.0 109.53 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.66 153.01 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 CA-C-O 121.93 0.871 . . . . 0.0 110.026 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 t -71.8 130.47 41.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.955 . . . . 0.0 109.998 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.11 88.99 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.373 -0.83 . . . . 0.0 109.723 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.5 t -65.8 -40.75 92.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.21 -0.932 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.3 m -65.53 -50.29 65.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 110.156 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.02 -42.53 94.55 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.571 -0.706 . . . . 0.0 109.999 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.424 HH11 ' HG2' ' A' ' 146' ' ' ARG . 30.1 ttt-85 -60.13 -49.28 78.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.863 -1.148 . . . . 0.0 109.748 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -61.33 -40.68 95.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.033 -1.042 . . . . 0.0 110.102 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -66.06 -39.12 89.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.408 -0.807 . . . . 0.0 110.589 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.99 -45.85 91.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -177.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -68.67 -40.05 80.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.163 -1.585 . . . . 0.0 109.351 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -60.26 -40.18 89.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.552 -0.718 . . . . 0.0 111.162 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.49 -11.32 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 120.475 -1.391 . . . . 0.0 109.93 -179.253 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.0 -39.66 86.56 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.353 -0.842 . . . . 0.0 110.168 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.68 -9.01 58.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.791 -1.193 . . . . 0.0 109.508 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -106.34 146.34 30.55 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.41 -0.806 . . . . 0.0 109.933 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.97 50.28 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 53.7 mttm -50.05 -52.48 52.56 Favored Pre-proline 0 N--CA 1.487 1.423 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.106 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 25.7 Cg_endo -61.84 -21.66 72.69 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.94 1.093 . . . . 0.0 111.915 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.97 -10.1 59.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.375 -0.828 . . . . 0.0 109.718 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -59.03 -39.95 83.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.675 . . . . 0.0 109.981 -178.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.004 -1.06 . . . . 0.0 110.652 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -68.55 -39.63 80.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.128 -0.982 . . . . 0.0 109.945 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.42 80.85 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 110.693 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.13 -38.7 82.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.064 -1.022 . . . . 0.0 112.06 -177.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 162' ' ' ALA . 14.1 m -67.86 -18.61 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.461 -1.4 . . . . 0.0 110.611 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -88.48 106.86 18.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.966 -1.084 . . . . 0.0 109.401 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -97.58 168.58 24.03 Favored Glycine 0 N--CA 1.502 3.074 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -81.14 -70.7 0.51 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.04 -1.271 . . . . 0.0 109.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -178.55 -57.11 0.07 OUTLIER Glycine 0 N--CA 1.494 2.53 0 C-N-CA 119.293 -1.432 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 173' ' ' ARG . . . -81.34 -10.04 59.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.566 -0.961 . . . . 0.0 110.048 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 77.9 p -61.92 -40.07 94.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.96 -1.088 . . . . 0.0 109.608 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.98 -44.03 94.75 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.968 . . . . 0.0 109.533 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 170' ' ' ALA . 40.7 ttm180 -95.49 131.37 41.74 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.12 -0.988 . . . . 0.0 109.418 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.499 1.977 0 O-C-N 120.883 -1.135 . . . . 0.0 109.51 179.937 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.0 ptm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.49 140.0 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.901 -1.125 . . . . 0.0 109.36 178.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.66 130.05 7.25 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.234 -0.917 . . . . 0.0 109.456 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.693 ' H ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -61.0 145.84 88.65 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 118.144 -1.422 . . . . 0.0 107.59 179.376 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.445 ' O ' ' OG1' ' A' ' 81' ' ' THR . 27.6 Cg_endo -60.05 -30.03 90.58 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.091 1.861 . . . . 0.0 112.435 178.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 80' ' ' PRO . 97.7 m -170.0 144.53 2.73 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 121.091 -1.005 . . . . 0.0 111.181 -178.003 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mp -91.62 128.89 37.63 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 45.2 tp10 -125.14 -111.61 0.3 Allowed 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.208 -0.933 . . . . 0.0 110.419 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 141.17 55.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.505 -0.747 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 83' ' ' GLU . 81.2 m-70 -145.95 65.55 1.21 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.97 -40.24 88.4 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 178.087 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 1.3 p90 -99.34 -107.51 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.079 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 31.3 p-10 -160.91 83.19 0.66 Allowed 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.102 -0.999 . . . . 0.0 108.667 179.164 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.19 -39.89 88.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.712 -0.617 . . . . 0.0 109.877 -179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -60.01 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.054 -1.029 . . . . 0.0 110.134 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.85 87.32 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.0 -47.19 86.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.108 -0.995 . . . . 0.0 108.594 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' HE1' ' HG2' ' A' ' 79' ' ' ARG . 74.6 m95 -64.04 -34.35 77.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.102 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -41.48 92.29 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.733 -1.229 . . . . 0.0 109.046 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -40.46 94.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.963 . . . . 0.0 108.632 179.28 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.0 t-105 -61.36 -49.34 77.34 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.582 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.86 -39.85 82.57 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.961 -1.087 . . . . 0.0 109.347 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.96 -3.04 59.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.066 -1.021 . . . . 0.0 109.117 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.01 154.08 42.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.143 -0.973 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 t -72.34 159.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.888 -1.132 . . . . 0.0 109.808 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.96 -40.09 87.83 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.775 -0.578 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -58.09 -40.75 81.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.178 -0.951 . . . . 0.0 109.153 -179.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -63.71 -41.99 98.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -69.43 -41.05 76.84 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.643 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -60.0 -49.74 76.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 0.0 109.137 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.03 -45.59 94.17 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.589 0.709 . . . . 0.0 109.511 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.02 98.11 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.673 -1.267 . . . . 0.0 109.97 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.27 -40.03 94.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.66 -39.88 92.93 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.814 -1.179 . . . . 0.0 110.553 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.434 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.3 m95 -82.65 -6.17 59.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.115 -0.991 . . . . 0.0 111.101 -178.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.1 tp -74.63 -46.13 5.48 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.385 -1.447 . . . . 0.0 112.249 -178.01 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 73.9 Cg_endo -70.99 -21.41 27.8 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 CA-C-N 120.852 1.34 . . . . 0.0 112.047 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.09 53.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.83 -40.94 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.252 -0.905 . . . . 0.0 109.65 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.65 -40.56 80.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.47 -0.769 . . . . 0.0 110.4 -178.564 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.65 90.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.019 -1.051 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 35.8 t0 -59.89 -47.47 85.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 -179.038 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -61.13 -40.13 92.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.907 . . . . 0.0 109.701 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.1 mtt -61.24 -40.05 92.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.381 -0.825 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.46 -39.62 92.23 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.02 -40.1 92.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.938 . . . . 0.0 109.834 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -77.46 1.52 18.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.13 40.31 50.79 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 120.154 -1.022 . . . . 0.0 111.699 178.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.6 mm -79.95 141.68 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.179 -1.189 . . . . 0.0 109.096 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 t -56.26 139.67 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.738 -1.226 . . . . 0.0 108.673 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -59.75 -44.36 93.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.738 -1.226 . . . . 0.0 109.682 -178.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -59.02 -44.36 91.71 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.716 -1.24 . . . . 0.0 109.216 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.3 m -69.87 -41.53 74.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.964 -1.085 . . . . 0.0 109.604 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.96 71.46 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.376 -0.827 . . . . 0.0 110.559 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.71 -39.95 76.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.16 -0.963 . . . . 0.0 109.308 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.72 97.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.938 -1.101 . . . . 0.0 109.714 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.1 m -60.6 -43.75 97.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.023 -1.048 . . . . 0.0 109.142 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.78 -41.67 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.064 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.23 -29.12 68.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.001 -1.062 . . . . 0.0 109.849 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.89 -49.5 22.62 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -72.12 -40.35 68.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.813 -1.404 . . . . 0.0 109.146 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.4 m-85 -99.26 134.58 41.91 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.392 -0.818 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -83.8 61.58 6.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.009 -1.057 . . . . 0.0 109.516 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.41 157.03 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-O 121.816 0.817 . . . . 0.0 110.775 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.6 t -72.0 130.14 40.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.13 88.82 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.26 -0.9 . . . . 0.0 109.824 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.3 m -60.61 -40.08 90.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 110.01 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.6 m -63.46 -47.65 80.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 110.327 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.09 -40.57 90.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.441 0.638 . . . . 0.0 109.855 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -59.58 -48.03 83.24 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 109.696 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.5 -43.94 96.49 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.118 -0.989 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.63 -37.64 87.14 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.547 -0.721 . . . . 0.0 110.14 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.92 -47.1 87.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.341 -0.849 . . . . 0.0 110.172 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -67.83 -32.35 72.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.942 -1.099 . . . . 0.0 109.226 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.03 -40.02 87.88 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.0 110.52 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.26 -13.03 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.926 -1.108 . . . . 0.0 111.328 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -59.31 -38.27 79.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.743 -1.223 . . . . 0.0 109.648 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -76.09 -3.15 34.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -114.03 144.04 43.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.225 -0.922 . . . . 0.0 109.045 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.86 147.27 29.07 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.3 mptt -59.55 -39.97 75.89 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 120.813 -1.179 . . . . 0.0 112.018 -177.363 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 35.6 Cg_exo -57.42 -38.88 92.97 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.736 1.624 . . . . 0.0 113.102 -179.811 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 8.0 p-10 -88.99 5.53 43.83 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.79 -1.194 . . . . 0.0 110.378 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -57.92 -40.0 79.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.704 -1.248 . . . . 0.0 108.983 178.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.87 82.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 108.792 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.44 57.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.305 -0.872 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.69 -23.85 66.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.275 -0.891 . . . . 0.0 110.918 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.72 -28.25 65.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.647 -1.283 . . . . 0.0 110.989 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 166' ' ' ASP . 1.2 m -70.06 -39.13 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.815 -1.178 . . . . 0.0 109.466 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.408 ' N ' ' CG2' ' A' ' 165' ' ' VAL . 11.5 t0 -90.75 128.27 36.62 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -148.95 89.16 0.14 Allowed Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -83.85 146.04 28.31 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.277 -1.131 . . . . 0.0 108.741 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.75 -15.74 80.25 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.69 86.54 5.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.123 -1.222 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 68.5 m -63.78 -43.43 96.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.171 -0.955 . . . . 0.0 109.369 179.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -158.49 125.67 4.93 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.423 -0.798 . . . . 0.0 108.899 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -93.35 -15.93 25.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.931 -1.106 . . . . 0.0 110.448 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.428 ' OD1' ' OXT' ' A' ' 174' ' ' ASN . 35.8 p-10 . . . . . 0 N--CA 1.504 2.247 0 O-C-N 120.868 -1.145 . . . . 0.0 109.608 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.478 ' SD ' ' NH1' ' A' ' 104' ' ' ARG . 63.2 mtt . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' ILE . 20.7 tt -61.18 140.05 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.711 179.781 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.57 137.2 42.2 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.583 -1.323 . . . . 0.0 109.347 177.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.657 ' H ' ' CD ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -60.06 149.96 72.29 Favored Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.651 178.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.73 149.06 85.25 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.141 1.227 . . . . 0.0 110.777 175.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 m -60.21 139.61 57.46 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.479 -1.388 . . . . 0.0 108.238 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD13 HH21 ' A' ' 89' ' ' ARG . 49.0 mt -97.31 111.96 23.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.854 -1.154 . . . . 0.0 109.722 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -176.0 -29.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.08 -37.06 10.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.167 -0.958 . . . . 0.0 112.57 -176.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.461 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -59.45 141.44 54.69 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.694 -1.254 . . . . 0.0 109.975 -178.106 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 23.9 t0 -103.39 -5.04 23.32 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 89' ' ' ARG . 28.4 p90 -100.63 143.25 31.02 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 14.3 p-10 -61.54 79.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.953 0.882 . . . . 0.0 108.746 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.623 HH21 HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.23 -14.3 36.74 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 111.276 -179.349 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -59.8 -39.97 86.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.562 -1.336 . . . . 0.0 110.014 -178.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.5 96.1 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.833 -1.167 . . . . 0.0 109.424 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.41 -51.28 66.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.764 -0.585 . . . . 0.0 111.319 -178.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -67.35 -25.74 66.14 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.046 -1.034 . . . . 0.0 109.722 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.3 m -59.85 -41.57 91.71 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.656 -1.278 . . . . 0.0 108.646 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -61.22 -40.79 95.32 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' C ' ' CD1' ' A' ' 96' ' ' TRP . 4.5 t-105 -60.27 -49.23 78.42 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 58.9 t0 -58.94 -38.04 78.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 109.202 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -82.57 -9.93 59.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.48 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.21 150.04 46.87 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.271 -0.893 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.62 161.39 31.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.914 -1.116 . . . . 0.0 109.552 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.558 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 6.2 m-20 -60.15 -39.88 87.93 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.597 -0.689 . . . . 0.0 110.718 -178.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.73 -40.01 86.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.845 -1.159 . . . . 0.0 109.561 -178.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 21.0 mp0 -66.75 -40.39 88.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.852 -1.155 . . . . 0.0 109.488 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.558 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 86.8 mtm180 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.604 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 105' ' ' ARG . 35.3 ttt-85 -62.57 -42.17 99.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.349 -0.844 . . . . 0.0 110.354 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.96 -42.75 98.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.004 -1.06 . . . . 0.0 109.288 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.062 -1.024 . . . . 0.0 109.491 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -40.66 91.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.858 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -67.64 -40.07 84.62 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.531 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 65.8 m95 -80.56 -10.15 59.75 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.142 -0.974 . . . . 0.0 112.317 -178.226 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 32.7 tp -75.3 -47.28 4.44 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.371 -1.455 . . . . 0.0 111.497 -178.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 53.8 Cg_endo -65.48 -21.51 60.2 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 CA-C-N 121.019 1.4 . . . . 0.0 112.41 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.9 32.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 110.441 -179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.2 t -65.57 -45.84 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.489 -179.289 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.97 -40.05 90.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.98 -1.075 . . . . 0.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.878 -1.138 . . . . 0.0 108.914 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.28 89.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.521 -0.737 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 49.1 t0 -59.2 -39.16 81.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.987 . . . . 0.0 109.628 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.041 -1.037 . . . . 0.0 109.878 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.8 mmt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.754 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.15 -33.04 73.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -59.99 -39.7 86.64 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.923 . . . . 0.0 110.66 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.15 4.18 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.871 -1.143 . . . . 0.0 110.041 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.64 28.47 70.9 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.784 178.731 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 126' ' ' SER . 96.6 mt -75.28 157.24 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.981 -1.305 . . . . 0.0 108.749 179.171 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 125' ' ' ILE . 48.3 t -60.03 140.3 56.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.89 -1.131 . . . . 0.0 109.706 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -59.81 -41.25 90.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.843 -1.16 . . . . 0.0 110.299 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -60.11 -46.73 88.62 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.527 -178.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.2 m -67.59 -39.93 84.8 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.75 41.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.509 -0.744 . . . . 0.0 110.955 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.136 -0.978 . . . . 0.0 109.618 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.12 93.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.554 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.2 m -61.84 -45.7 92.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.102 -0.999 . . . . 0.0 108.975 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.04 -47.04 80.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.65 -31.1 72.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.322 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.76 -47.0 42.65 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -73.94 -43.82 57.01 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.022 -1.281 . . . . 0.0 109.393 179.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.448 ' O ' ' O ' ' A' ' 135' ' ' ALA . 87.0 m-85 -96.37 134.54 39.39 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.21 -0.932 . . . . 0.0 109.415 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -83.37 65.81 8.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.42 -0.8 . . . . 0.0 109.1 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.27 157.91 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.495 -0.753 . . . . 0.0 109.668 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.1 t -72.24 129.13 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.486 -0.759 . . . . 0.0 110.042 -179.649 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.51 86.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.209 -0.932 . . . . 0.0 110.03 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 t -63.99 -40.68 96.92 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.5 m -61.97 -50.09 73.5 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.237 -0.914 . . . . 0.0 109.606 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.21 -41.88 93.98 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.096 -1.003 . . . . 0.0 109.745 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.06 -45.61 92.3 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.923 -1.111 . . . . 0.0 110.6 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 46.8 t0 -60.03 -47.91 83.89 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.884 -1.135 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.531 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 49.6 mtmt -69.51 -30.42 68.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.491 -0.756 . . . . 0.0 110.855 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -58.75 -49.92 75.84 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.693 -178.177 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -69.94 -33.79 72.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.828 -1.17 . . . . 0.0 110.428 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.28 -39.78 88.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.947 -1.096 . . . . 0.0 111.666 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.14 -10.65 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.605 -1.309 . . . . 0.0 112.136 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.2 -38.6 77.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.589 -1.32 . . . . 0.0 110.398 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -75.07 -5.81 46.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.818 -1.176 . . . . 0.0 109.747 -179.029 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.46 145.56 39.99 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.479 -0.763 . . . . 0.0 109.901 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.559 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -61.38 140.05 58.09 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.739 0.781 . . . . 0.0 110.817 -178.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 40.0 mttp -51.41 -49.98 79.05 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.622 -0.674 . . . . 0.0 111.318 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 12.1 Cg_endo -54.55 -30.49 65.26 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.39 1.394 . . . . 0.0 112.71 -179.362 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.559 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 4.3 p30 -88.54 -0.03 56.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 0.0 109.97 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -56.53 -39.99 74.31 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.914 -1.116 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.87 94.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.6 -1.312 . . . . 0.0 109.683 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -75.75 -35.67 60.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.352 -0.842 . . . . 0.0 109.747 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.33 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 111.348 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.38 -21.4 62.87 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.841 -1.162 . . . . 0.0 111.429 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 162' ' ' ALA . 0.9 OUTLIER -68.69 -40.33 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 120.678 -1.264 . . . . 0.0 109.677 -178.607 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.04 121.44 34.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.13 -0.981 . . . . 0.0 109.564 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.28 -145.36 1.68 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.403 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 99.2 mtt180 -85.04 118.01 24.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.991 -1.299 . . . . 0.0 109.958 -179.559 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.78 103.17 0.18 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.57 ' HB3' ' HE ' ' A' ' 172' ' ' ARG . . . -78.5 156.1 29.46 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.447 -1.031 . . . . 0.0 109.452 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 28.1 t -100.66 117.97 35.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.095 -1.003 . . . . 0.0 109.13 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.626 HH11 ' CG ' ' A' ' 172' ' ' ARG . 0.0 OUTLIER -155.54 155.26 33.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.551 -0.718 . . . . 0.0 109.165 179.69 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -145.67 -16.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.028 -1.045 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.502 2.16 0 O-C-N 121.105 -0.997 . . . . 0.0 109.942 179.977 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.5 mmt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.542 HD13 ' H ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -60.07 140.88 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.274 -0.891 . . . . 0.0 108.721 179.634 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.92 107.37 12.65 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -60.56 146.01 86.2 Favored Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 118.162 -1.415 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -69.95 149.87 66.25 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.201 1.267 . . . . 0.0 110.958 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.8 m -59.99 140.0 57.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.956 -1.715 . . . . 0.0 108.23 178.315 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.83 124.36 46.37 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.702 -0.624 . . . . 0.0 109.508 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -170.27 -53.66 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.282 -0.886 . . . . 0.0 109.227 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.8 103.82 15.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.813 . . . . 0.0 110.037 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -175.43 128.28 0.26 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.148 -0.97 . . . . 0.0 108.974 178.735 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -86.47 -4.05 59.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.074 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 13.0 p90 -117.96 155.85 29.52 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -73.35 87.87 1.53 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.891 -1.13 . . . . 0.0 109.619 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.775 HH12 ' HE1' ' A' ' 93' ' ' TRP . 0.4 OUTLIER -60.46 -39.84 89.05 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.583 0.706 . . . . 0.0 109.69 179.559 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.64 -34.75 73.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.141 -0.974 . . . . 0.0 109.882 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.34 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 110.346 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.58 -52.36 64.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.212 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.775 ' HE1' HH12 ' A' ' 89' ' ' ARG . 96.3 m95 -69.94 -29.13 66.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.273 -0.892 . . . . 0.0 110.295 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.8 m -59.85 -41.12 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.009 -1.057 . . . . 0.0 109.016 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -63.44 -40.07 96.17 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.9 t-105 -61.61 -47.74 84.07 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.12 -39.59 82.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -80.86 -8.13 59.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.322 -0.861 . . . . 0.0 109.404 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.83 44.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.383 -0.823 . . . . 0.0 109.574 -179.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.404 ' HB3' ' NE2' ' A' ' 103' ' ' GLN . 1.3 t -72.21 162.36 29.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.0 110.215 -179.53 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . 58.2 t0 -60.05 -39.82 87.3 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.876 -0.515 . . . . 0.0 109.796 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.808 -1.182 . . . . 0.0 109.821 -179.139 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 100' ' ' SER . 2.6 mp0 -67.13 -41.78 85.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.092 -1.005 . . . . 0.0 110.085 -179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.16 -40.01 78.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.914 -1.116 . . . . 0.0 109.089 179.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.07 -40.22 97.03 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.463 -0.773 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.96 -50.04 75.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.867 -1.146 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.84 86.24 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.802 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.79 -40.08 91.3 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.944 -1.098 . . . . 0.0 109.761 -179.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -65.01 -39.9 94.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.73 . . . . 0.0 110.549 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 114' ' ' VAL . 86.3 m95 -81.21 -10.44 59.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.259 -0.901 . . . . 0.0 110.806 -179.055 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 50.7 tp -70.92 -47.9 14.81 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.516 -1.365 . . . . 0.0 111.981 -177.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 38.5 Cg_endo -65.08 -25.06 58.83 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 CA-C-N 120.857 1.342 . . . . 0.0 112.211 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.25 52.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.824 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 110' ' ' TRP . 47.5 t -69.9 -40.94 79.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.303 -0.873 . . . . 0.0 109.456 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -69.24 -41.81 76.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.992 -1.068 . . . . 0.0 109.842 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.745 -1.222 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.86 86.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.058 -1.026 . . . . 0.0 109.792 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.97 -43.53 95.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.215 -0.928 . . . . 0.0 109.74 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -41.53 96.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.19 -41.29 98.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.773 -1.204 . . . . 0.0 109.569 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.06 -36.61 84.57 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.06 -40.41 89.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.674 -0.641 . . . . 0.0 110.142 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -72.36 -0.61 12.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.25 -0.906 . . . . 0.0 109.047 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.0 65.28 Favored Glycine 0 N--CA 1.496 2.641 0 O-C-N 120.951 -1.093 . . . . 0.0 111.837 177.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.8 mt -74.15 144.26 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.973 -1.31 . . . . 0.0 108.167 178.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.1 t -56.53 139.97 47.81 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.6 p -58.87 -41.25 86.61 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.07 -1.019 . . . . 0.0 110.289 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.52 -44.59 93.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.947 -1.096 . . . . 0.0 108.875 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -69.93 -42.31 73.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.88 -1.138 . . . . 0.0 109.83 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.04 75.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.185 -0.947 . . . . 0.0 110.379 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -66.57 -39.43 88.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.88 -1.137 . . . . 0.0 109.181 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.66 80.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.03 -1.044 . . . . 0.0 109.033 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -63.02 -44.07 96.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.947 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.6 -49.88 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.0 109.766 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.84 -28.56 69.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.432 -0.792 . . . . 0.0 109.179 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.53 -48.25 14.01 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.59 -42.3 71.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.332 -1.099 . . . . 0.0 109.62 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 135' ' ' ALA . 90.5 m-85 -99.9 138.78 36.5 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.268 -0.895 . . . . 0.0 109.287 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -84.14 63.69 7.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.239 -0.913 . . . . 0.0 109.139 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.13 159.87 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 CA-C-O 121.765 0.793 . . . . 0.0 109.679 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -75.46 127.81 33.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.416 -0.803 . . . . 0.0 109.031 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.62 90.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.032 -1.043 . . . . 0.0 109.532 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.1 m -62.01 -40.31 95.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.408 -0.808 . . . . 0.0 110.415 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.6 m -65.37 -46.06 81.64 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.982 -1.074 . . . . 0.0 109.45 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.09 -41.53 92.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 110.061 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -59.94 -49.06 79.16 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.185 -0.947 . . . . 0.0 110.278 -178.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.45 -43.86 96.42 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.846 -1.159 . . . . 0.0 111.208 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.79 -34.33 76.56 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.067 . . . . 0.0 110.963 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -60.13 -49.58 77.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.802 -1.186 . . . . 0.0 110.355 -178.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -67.91 -36.74 80.7 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.643 -1.286 . . . . 0.0 110.059 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.01 -40.33 88.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.222 -0.924 . . . . 0.0 111.506 -178.353 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 m -81.96 -7.72 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.996 -1.065 . . . . 0.0 110.252 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 153' ' ' GLN . 1.9 tm0? -58.86 -40.29 83.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.939 -1.1 . . . . 0.0 110.01 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.56 -3.38 46.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.888 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.48 141.08 38.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.261 -0.899 . . . . 0.0 109.65 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -59.32 144.98 44.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.263 -0.898 . . . . 0.0 108.703 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.9 mptt -59.04 -40.01 78.27 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.942 -1.099 . . . . 0.0 111.646 -177.366 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 33.7 Cg_exo -61.77 -35.76 77.56 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.814 1.676 . . . . 0.0 112.417 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.72 0.73 49.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.441 -0.787 . . . . 0.0 110.414 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 28.6 m0 -56.98 -39.98 75.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.988 -1.07 . . . . 0.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.9 84.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.047 -1.033 . . . . 0.0 109.422 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.19 60.87 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.866 -1.147 . . . . 0.0 109.771 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.137 -0.977 . . . . 0.0 110.546 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.91 -39.69 87.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.24 -0.913 . . . . 0.0 110.049 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.98 -40.12 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.08 -1.013 . . . . 0.0 109.065 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -85.97 134.9 33.84 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.078 -1.014 . . . . 0.0 109.685 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -83.49 -92.92 0.65 Allowed Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' A' ' 168' ' ' ARG . 18.1 ptt-85 -90.21 134.6 34.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.865 -1.373 . . . . 0.0 109.681 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -84.95 1.06 89.1 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.74 2.69 18.87 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.219 -1.165 . . . . 0.0 109.963 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 17.7 t -60.16 -45.83 91.73 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.898 -1.126 . . . . 0.0 109.171 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -160.85 158.58 28.59 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.202 -0.936 . . . . 0.0 109.363 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -143.57 -59.71 0.41 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.395 -0.815 . . . . 0.0 109.021 179.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.895 -179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.641 ' N ' HH11 ' A' ' 79' ' ' ARG . 37.3 ttp . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.469 0.652 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.07 -34.22 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.398 -0.814 . . . . 0.0 110.574 -178.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.05 -21.94 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.552 -1.343 . . . . 0.0 112.795 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.641 HH11 ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -53.69 -40.1 78.05 Favored Pre-proline 0 C--O 1.204 -1.319 0 O-C-N 120.093 -1.629 . . . . 0.0 112.72 -179.55 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 46.6 Cg_exo -54.78 -39.61 88.8 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 O-C-N 119.584 -0.798 . . . . 0.0 110.293 -177.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -95.9 136.61 36.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.636 -1.29 . . . . 0.0 109.172 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 82' ' ' LEU . 40.1 mt -151.9 108.49 3.47 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.293 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.538 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 83.4 tt0 -166.38 -52.82 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.8 -1.188 . . . . 0.0 110.245 -179.38 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.78 90.42 8.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.442 -0.786 . . . . 0.0 110.415 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.538 ' NE2' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -177.21 104.48 0.05 Allowed 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.109 -0.994 . . . . 0.0 109.872 178.725 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.42 -20.01 64.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.466 -1.396 . . . . 0.0 108.059 178.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 3.6 p90 -103.28 137.87 40.83 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 88' ' ' ASP . 13.2 p-10 -74.55 83.08 2.01 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.778 -1.201 . . . . 0.0 109.301 -179.13 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 89' ' ' ARG . 3.6 ptp180 -64.24 -9.21 15.85 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.259 -0.901 . . . . 0.0 110.164 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.57 -39.08 70.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.98 90.85 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.44 -40.91 98.41 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -64.15 -35.1 79.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.743 -0.598 . . . . 0.0 109.435 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -59.89 -39.83 86.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.094 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.42 -40.14 89.96 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -61.94 -46.18 90.46 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.276 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.96 -40.49 89.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.864 -1.147 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -82.65 -7.07 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.971 -1.081 . . . . 0.0 109.016 -179.309 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 148.78 49.38 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.27 -0.894 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -69.78 158.23 35.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 31.7 p-10 -59.75 -37.08 78.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.824 . . . . 0.0 110.225 -179.147 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 92.8 p -59.77 -40.73 89.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.853 . . . . 0.0 109.267 -179.371 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.17 -43.52 94.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.784 -1.198 . . . . 0.0 108.654 178.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -70.06 -41.68 73.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.231 -0.918 . . . . 0.0 109.663 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.038 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.39 -49.82 76.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.0 109.355 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -60.65 -39.04 86.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.156 -0.965 . . . . 0.0 109.799 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.14 -40.0 96.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.098 -1.001 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.9 m95 -84.33 -6.73 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.246 -0.909 . . . . 0.0 111.412 -178.786 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.5 tp -73.21 -45.28 8.02 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 120.509 -1.37 . . . . 0.0 112.227 -178.495 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.8 Cg_endo -66.77 -30.4 41.19 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 CA-C-N 120.811 1.325 . . . . 0.0 112.435 -179.744 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -40.65 50.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.72 -1.238 . . . . 0.0 110.249 -179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -70.4 -44.63 77.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.142 -0.974 . . . . 0.0 109.348 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.415 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.4 mm-40 -63.0 -43.48 98.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 109.149 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.46 89.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.53 -0.732 . . . . 0.0 109.408 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.65 85.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -59.95 -45.79 91.51 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 109.988 -179.025 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.38 -42.43 95.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.883 -1.136 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.4 mtp -65.63 -40.27 92.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 121' ' ' LEU . 91.9 mt -62.47 -39.8 94.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.142 -0.974 . . . . 0.0 109.453 -179.739 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 0.0 109.316 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.88 -9.56 3.09 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.474 -0.766 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.84 29.61 64.91 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.438 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.66 145.31 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -1.223 . . . . 0.0 108.347 178.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 m -53.01 137.81 32.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.115 -0.991 . . . . 0.0 108.698 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -58.29 -43.21 87.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.647 -0.658 . . . . 0.0 110.135 -178.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.86 -48.6 81.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.067 -1.021 . . . . 0.0 109.621 -179.089 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.9 m -66.29 -42.02 88.94 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.537 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.87 72.05 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.523 -0.735 . . . . 0.0 111.124 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -67.35 -39.09 85.74 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.94 -1.1 . . . . 0.0 109.602 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.19 74.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.332 -0.855 . . . . 0.0 109.163 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.7 m -61.19 -42.51 98.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.894 -1.129 . . . . 0.0 110.061 179.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.71 -45.44 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.284 -0.885 . . . . 0.0 109.663 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.77 -27.14 67.35 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.01 -45.68 40.28 Favored Glycine 0 N--CA 1.484 1.837 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -75.59 -44.37 43.44 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.279 -1.13 . . . . 0.0 109.027 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 135' ' ' ALA . 91.8 m-85 -97.46 139.99 32.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.34 -0.85 . . . . 0.0 110.074 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -85.08 63.39 8.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.916 -1.115 . . . . 0.0 109.494 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.38 157.69 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.338 -0.851 . . . . 0.0 109.953 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.0 t -73.07 131.6 42.3 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.393 -0.817 . . . . 0.0 109.629 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.39 89.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.9 t -65.08 -39.97 93.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.903 -1.123 . . . . 0.0 110.349 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.9 m -64.86 -48.68 73.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.081 -1.012 . . . . 0.0 110.713 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.89 -44.75 94.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.101 -0.999 . . . . 0.0 110.133 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -60.1 -48.82 80.14 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.771 -1.206 . . . . 0.0 109.976 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.03 -49.13 78.64 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.02 -1.05 . . . . 0.0 110.38 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.04 -31.44 71.97 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.231 -0.918 . . . . 0.0 110.668 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.36 -40.99 83.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.038 -1.039 . . . . 0.0 109.467 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.56 -35.18 70.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.204 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.26 -40.03 88.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 111.302 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.12 -12.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.078 -1.014 . . . . 0.0 109.381 -179.538 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.8 -37.58 79.56 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.859 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -76.35 -6.19 50.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 110.547 -179.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -109.94 149.58 29.72 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.097 -1.002 . . . . 0.0 109.948 -179.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 108.741 -179.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -50.1 -49.9 72.67 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.98 -1.075 . . . . 0.0 110.238 -179.059 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 50.0 Cg_exo -53.35 -34.13 69.32 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.108 1.872 . . . . 0.0 112.651 -179.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.451 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 9.5 t0 -87.4 1.07 54.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.359 -0.838 . . . . 0.0 110.146 -179.089 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.415 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 30.3 m0 -59.41 -40.35 86.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.893 -1.129 . . . . 0.0 109.135 -179.861 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.29 -46.89 76.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.686 -1.258 . . . . 0.0 109.291 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.4 62.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 179.652 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 166' ' ' ASP . . . -60.13 -39.27 85.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.207 -0.933 . . . . 0.0 110.049 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.02 -39.79 94.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.941 -1.1 . . . . 0.0 109.713 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.48 -40.42 84.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.167 -0.958 . . . . 0.0 109.12 -179.114 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 167' ' ' GLY . 9.9 t70 -88.58 150.53 23.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.432 -0.793 . . . . 0.0 109.546 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 166' ' ' ASP . . . -156.81 -164.14 13.19 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -84.77 142.52 29.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.182 -1.187 . . . . 0.0 108.769 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.34 32.32 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.37 156.01 26.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.05 -1.265 . . . . 0.0 109.898 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 96.9 p -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.0 109.155 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 172' ' ' ARG . 8.6 mmt-85 -69.94 160.13 32.44 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.247 -0.908 . . . . 0.0 109.835 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.408 HH11 ' HG3' ' A' ' 173' ' ' ARG . 34.6 ttm-85 -88.17 119.99 29.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.127 -0.983 . . . . 0.0 108.965 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.29 -179.394 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.5 mmm . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.93 141.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 120.784 -1.198 . . . . 0.0 108.937 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -70.01 144.41 52.26 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.957 -1.097 . . . . 0.0 108.885 -178.601 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 16.9 mtt180 -56.04 -40.06 81.98 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.212 -0.93 . . . . 0.0 112.515 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 25.5 Cg_endo -69.25 150.0 70.78 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 120.626 1.259 . . . . 0.0 110.734 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.768 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 12.0 m -168.56 80.54 0.15 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.326 -0.859 . . . . 0.0 108.683 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 tp -147.39 28.06 1.0 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.946 -1.096 . . . . 0.0 109.006 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.4 mp0 -110.86 -23.67 10.87 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.385 -0.822 . . . . 0.0 110.842 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.07 -80.06 0.33 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.754 -1.216 . . . . 0.0 110.75 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.608 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 2.3 p-80 -47.39 122.1 4.41 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.281 0.563 . . . . 0.0 109.825 -178.524 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.2 -23.93 64.88 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 19.6 p90 -93.11 113.56 25.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.098 -1.001 . . . . 0.0 108.578 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 88' ' ' ASP . 35.0 p-10 -64.15 134.22 54.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.452 -0.78 . . . . 0.0 108.993 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' A' ' 89' ' ' ARG . 0.0 OUTLIER -144.73 77.54 1.54 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 122.16 0.981 . . . . 0.0 109.27 -179.418 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.533 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 50.2 mp0 -65.5 -40.11 92.66 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.68 -0.638 . . . . 0.0 109.607 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.73 89.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.337 -0.852 . . . . 0.0 110.037 -179.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.45 -55.05 27.35 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.471 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.768 ' CZ2' HG21 ' A' ' 81' ' ' THR . 86.8 m95 -69.47 -32.68 71.73 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.404 -0.81 . . . . 0.0 110.99 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -59.75 -39.95 86.48 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 108.363 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' ALA . 60.7 tttp -60.83 -42.14 97.15 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.3 t-105 -61.01 -50.08 74.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.516 -0.74 . . . . 0.0 109.412 178.785 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.83 -40.17 87.57 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.873 -1.142 . . . . 0.0 109.014 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.94 -0.81 57.19 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.543 -0.723 . . . . 0.0 110.245 -179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -67.23 158.57 31.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.245 -0.909 . . . . 0.0 109.148 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.7 t -70.03 153.42 43.23 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.529 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.4 p-10 -60.06 -37.2 79.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -0.959 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.7 p -60.16 -39.99 88.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.945 -1.097 . . . . 0.0 108.852 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.88 -40.05 95.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.009 -1.057 . . . . 0.0 109.031 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NH1' ' HG3' ' A' ' 104' ' ' ARG . 14.1 mmm-85 -65.24 -41.78 93.99 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.7 -44.2 86.88 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.37 0.605 . . . . 0.0 109.711 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.4 -46.01 91.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.679 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.24 94.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.098 -1.001 . . . . 0.0 109.958 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.368 -0.832 . . . . 0.0 109.545 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.15 -40.2 90.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.214 -0.929 . . . . 0.0 111.418 -179.098 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 114' ' ' VAL . 76.8 m95 -81.16 -8.8 59.83 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.132 -0.98 . . . . 0.0 111.333 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.408 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 63.4 tp -74.95 -47.53 4.76 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 120.395 -1.441 . . . . 0.0 111.903 -178.112 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 63.5 Cg_endo -70.29 -26.48 25.04 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 CA-C-N 121.077 1.42 . . . . 0.0 112.979 179.702 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.71 -41.4 53.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.693 -1.254 . . . . 0.0 109.841 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 110' ' ' TRP . 62.1 t -69.45 -40.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 108.781 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -65.41 -40.81 93.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.205 -0.934 . . . . 0.0 109.711 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.89 95.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.34 -0.85 . . . . 0.0 109.932 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.44 90.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -58.39 -40.53 82.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.038 -1.039 . . . . 0.0 108.856 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 75.1 tt0 -61.73 -40.24 94.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.933 -1.104 . . . . 0.0 109.989 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.9 mtt -68.58 -40.01 80.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.864 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.73 -40.17 94.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.781 . . . . 0.0 110.961 -178.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 48.2 p30 -68.1 -16.79 64.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.23 -1.544 . . . . 0.0 109.454 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 51.1 tp60 -81.55 -0.26 41.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.469 -0.769 . . . . 0.0 109.185 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.21 24.43 76.43 Favored Glycine 0 N--CA 1.494 2.509 0 O-C-N 120.935 -1.103 . . . . 0.0 110.972 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.5 mt -80.0 141.57 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.752 -1.44 . . . . 0.0 108.992 179.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.9 m -55.87 140.11 43.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.339 -0.851 . . . . 0.0 109.748 -178.667 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -58.1 -44.87 87.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.528 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.35 -46.7 85.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.872 -1.142 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 83.2 m -67.36 -40.37 85.76 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.439 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.81 -52.09 66.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.437 -0.789 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -69.6 -39.41 77.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.848 -1.157 . . . . 0.0 109.795 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.73 96.72 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.862 -1.149 . . . . 0.0 109.371 -179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -62.31 -45.3 93.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.503 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.3 t -67.82 -45.13 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.215 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.51 -33.29 73.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.191 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.61 -47.95 24.98 Favored Glycine 0 C--N 1.296 -1.674 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.03 -40.22 71.87 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.331 . . . . 0.0 109.443 179.516 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 135' ' ' ALA . 63.7 m-85 -100.17 137.95 37.91 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.062 -1.023 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.17 62.15 5.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.972 -1.08 . . . . 0.0 108.652 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.0 159.96 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -74.4 130.65 40.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 109.8 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.48 85.99 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.151 -0.968 . . . . 0.0 109.592 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.1 p -65.63 -40.03 92.09 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.566 -0.709 . . . . 0.0 110.588 -179.18 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 m -62.11 -48.52 79.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.906 -1.121 . . . . 0.0 109.404 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.9 -45.57 92.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.947 -1.096 . . . . 0.0 109.834 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -59.68 -51.75 68.44 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.384 -0.823 . . . . 0.0 110.687 -178.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 41.8 t0 -61.38 -40.41 94.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.015 -1.053 . . . . 0.0 109.766 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -67.2 -39.81 86.39 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.922 -0.486 . . . . 0.0 110.695 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.45 -48.69 79.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.862 -1.149 . . . . 0.0 109.53 -178.746 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -61.06 -39.87 91.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.858 -1.151 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.34 -40.2 93.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.034 -1.041 . . . . 0.0 110.638 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.67 -13.18 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 120.792 -1.193 . . . . 0.0 109.967 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.67 -39.6 85.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.959 -1.088 . . . . 0.0 109.93 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -73.68 -10.41 59.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.638 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -110.43 137.54 48.01 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.296 -0.878 . . . . 0.0 108.988 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.63 153.65 27.33 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.798 -179.311 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 67.5 mttt -51.16 -54.99 32.14 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.26 -0.9 . . . . 0.0 109.84 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 46.5 Cg_exo -30.64 -50.67 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 122.434 2.09 . . . . 0.0 114.938 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 36.8 p-10 -89.49 2.77 54.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.834 -1.166 . . . . 0.0 111.809 -177.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -58.27 -40.04 80.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.31 -1.494 . . . . 0.0 109.302 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.13 80.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.82 -40.05 66.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.472 -0.768 . . . . 0.0 109.871 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.534 ' O ' ' OD1' ' A' ' 166' ' ' ASP . . . -61.37 -34.97 76.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.529 -0.732 . . . . 0.0 111.029 -178.672 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.79 -39.87 87.94 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.518 -1.364 . . . . 0.0 111.548 -178.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 19.6 m -74.9 4.9 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.543 -1.348 . . . . 0.0 111.125 -178.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' A' ' 163' ' ' ALA . 28.1 p-10 -79.99 113.51 18.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.721 -1.237 . . . . 0.0 109.481 -179.069 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -176.48 175.52 47.55 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.9 ptt-85 -84.99 146.97 26.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.948 -1.324 . . . . 0.0 109.043 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -163.64 134.55 3.43 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.98 131.32 35.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -1.12 . . . . 0.0 109.344 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 66.3 m -145.53 -100.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 109.632 179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 172' ' ' ARG . 6.3 tpt180 -59.87 -42.64 94.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.035 -1.041 . . . . 0.0 109.532 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 173' ' ' ARG . 39.6 mtt-85 -94.53 132.05 39.61 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.325 -0.859 . . . . 0.0 109.429 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 N--CA 1.494 1.761 0 O-C-N 121.098 -1.001 . . . . 0.0 109.487 179.912 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mm 50.08 -129.33 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.582 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.53 165.55 34.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.817 -1.177 . . . . 0.0 108.949 -178.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' NH1' ' HG2' ' A' ' 79' ' ' ARG . 3.0 mtt-85 -59.98 146.05 83.18 Favored Pre-proline 0 N--CA 1.5 2.038 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.453 178.707 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.29 -29.86 89.84 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.614 1.543 . . . . 0.0 113.224 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.483 ' HA ' HH11 ' A' ' 89' ' ' ARG . 69.7 m -60.42 139.71 57.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.951 -1.093 . . . . 0.0 109.205 -177.289 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.433 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 65.4 mt -147.17 138.56 24.01 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.76 5.92 23.13 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.583 -0.698 . . . . 0.0 110.569 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.52 85.26 2.34 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.654 -0.654 . . . . 0.0 111.081 -178.577 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.646 ' HD1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -175.11 148.26 0.98 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.134 -0.978 . . . . 0.0 110.368 178.112 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -102.64 2.05 35.46 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.068 0.937 . . . . 0.0 108.503 178.657 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -114.2 145.3 41.88 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 27.8 p-10 -65.24 138.11 58.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.249 -0.907 . . . . 0.0 108.764 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.483 HH11 ' HA ' ' A' ' 81' ' ' THR . 80.6 mtm180 -61.21 -39.53 90.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.656 0.741 . . . . 0.0 111.066 -179.111 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.94 -39.43 85.51 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 111.472 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.56 -59.25 3.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.393 -1.442 . . . . 0.0 111.518 -178.621 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.462 HD23 ' OD1' ' A' ' 159' ' ' ASP . 63.4 tp -60.03 -49.94 75.7 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.695 -1.253 . . . . 0.0 111.785 -177.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -67.37 -31.24 71.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.724 -1.235 . . . . 0.0 110.453 -178.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.401 -1.437 . . . . 0.0 108.892 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.93 -40.51 93.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.499 -0.751 . . . . 0.0 109.118 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.1 t-105 -60.58 -50.01 75.25 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.548 0.689 . . . . 0.0 109.31 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -59.09 -39.73 83.07 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.309 -0.87 . . . . 0.0 108.898 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.78 -6.55 59.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.09 154.2 41.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 109.358 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 p -73.59 162.81 28.81 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.001 -1.062 . . . . 0.0 109.133 -179.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 94.8 m-20 -60.03 -39.88 87.41 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.551 -0.718 . . . . 0.0 109.679 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.3 p -60.07 -40.03 88.1 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.011 -1.055 . . . . 0.0 109.588 -179.565 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -62.38 -41.29 98.53 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.827 -1.171 . . . . 0.0 110.41 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 81.7 mtm180 -66.63 -40.12 88.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.664 -1.272 . . . . 0.0 109.479 -179.627 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -63.74 -39.95 95.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.495 -0.753 . . . . 0.0 110.175 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 tp -60.18 -46.43 89.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.832 -1.167 . . . . 0.0 108.198 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.53 93.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.784 -1.197 . . . . 0.0 108.976 178.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -61.87 -39.93 93.62 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.495 -0.882 . . . . 0.0 108.745 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -61.23 -38.34 86.31 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.728 -0.608 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -90.09 -0.95 57.86 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.153 -0.967 . . . . 0.0 113.204 -177.731 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 7.0 tp -74.91 -38.55 3.06 Favored Pre-proline 0 N--CA 1.501 2.115 0 O-C-N 119.538 -1.977 . . . . 0.0 110.811 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 37.7 Cg_exo -59.56 -30.73 93.12 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.076 1.851 . . . . 0.0 112.124 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.98 -49.96 18.2 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.169 -0.957 . . . . 0.0 108.793 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.427 HG13 ' CD2' ' A' ' 149' ' ' TYR . 28.8 t -69.85 -40.22 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.892 -1.13 . . . . 0.0 108.139 179.306 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -63.16 -48.11 79.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 108.968 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.4 73.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 110.041 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.24 85.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 109.258 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.7 -45.11 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.87 -40.31 92.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.469 -0.77 . . . . 0.0 109.529 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.0 mmm -60.69 -40.46 92.24 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.364 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.88 -38.76 89.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.096 -1.003 . . . . 0.0 109.729 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -60.24 -37.54 80.67 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.495 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -67.06 -6.17 16.15 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.34 31.28 68.71 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.356 -0.84 . . . . 0.0 111.18 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.0 141.92 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.838 -1.389 . . . . 0.0 108.804 178.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -50.74 134.7 24.68 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 109.271 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.3 p -59.07 -42.89 91.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.652 -0.655 . . . . 0.0 110.326 -179.145 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.86 -44.86 91.13 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.346 -179.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.3 m -70.04 -44.84 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.856 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 0.0 110.567 -179.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.38 -40.19 89.56 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.929 -1.107 . . . . 0.0 109.211 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.78 98.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 0.0 108.642 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.4 m -62.73 -40.1 96.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.512 -0.743 . . . . 0.0 109.433 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.35 -46.26 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.905 . . . . 0.0 109.38 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.17 -33.92 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.666 -0.646 . . . . 0.0 109.519 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.12 -42.52 76.2 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -75.4 -45.32 39.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.236 . . . . 0.0 109.289 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.4 m-85 -101.34 133.9 45.24 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.504 -0.747 . . . . 0.0 109.23 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.31 64.33 6.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.819 -1.176 . . . . 0.0 109.453 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.15 158.55 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 p -71.86 131.17 42.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.092 -1.005 . . . . 0.0 109.568 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.28 84.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.174 -0.954 . . . . 0.0 108.97 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -63.8 -39.89 95.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.585 -0.697 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.3 m -63.22 -49.75 72.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.683 -1.261 . . . . 0.0 109.585 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.64 -43.5 98.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.596 -0.69 . . . . 0.0 110.575 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.416 ' NH1' ' HG2' ' A' ' 146' ' ' ARG . 44.4 ttt-85 -59.86 -46.74 88.32 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.599 -178.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.12 -42.58 95.06 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.202 -0.936 . . . . 0.0 110.815 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.82 -35.2 74.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.081 -1.012 . . . . 0.0 110.287 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.427 ' CD2' HG13 ' A' ' 114' ' ' VAL . 27.5 t80 -59.77 -49.6 77.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.109 -177.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -65.46 -40.07 92.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.267 -0.896 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -40.74 90.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.001 -1.062 . . . . 0.0 111.299 -179.112 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.69 -10.74 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.642 -1.286 . . . . 0.0 110.009 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -59.74 -40.02 86.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.51 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -79.76 -6.52 57.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.641 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -104.43 143.91 32.37 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.22 -0.925 . . . . 0.0 109.845 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -56.98 141.62 44.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -55.82 -42.39 95.86 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 110.505 -178.382 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 25.1 Cg_exo -61.88 -31.68 84.96 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.447 1.432 . . . . 0.0 112.035 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' OD1' HD23 ' A' ' 92' ' ' LEU . 15.1 t70 -85.3 -2.07 57.66 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.303 -0.873 . . . . 0.0 110.369 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 30.9 m0 -59.16 -39.9 83.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 0.0 109.367 -179.334 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.87 73.67 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.788 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.89 -40.3 40.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 109.845 179.495 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.69 78.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.528 -0.733 . . . . 0.0 110.392 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.9 -37.1 83.74 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.528 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.11 -46.75 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.955 -1.091 . . . . 0.0 109.349 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -99.92 120.89 40.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.559 -0.713 . . . . 0.0 109.848 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -110.85 -33.96 2.3 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -87.96 134.7 33.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.895 -1.356 . . . . 0.0 109.502 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -174.81 -23.49 0.02 OUTLIER Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.836 -1.306 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -81.53 136.81 35.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.277 -1.131 . . . . 0.0 110.356 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.9 m -73.88 129.33 37.67 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 108.771 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' A' ' 172' ' ' ARG . 22.9 ttt-85 -79.63 -13.44 59.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.03 -1.044 . . . . 0.0 109.589 -179.463 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' A' ' 174' ' ' ASN . 65.6 ttt180 -90.34 -79.8 0.34 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.092 -1.005 . . . . 0.0 109.286 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 173' ' ' ARG . 95.8 m-20 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 120.895 -1.128 . . . . 0.0 109.394 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.3 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 140.04 18.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.801 -1.187 . . . . 0.0 109.742 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.98 -90.9 0.07 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.193 -0.942 . . . . 0.0 109.61 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.86 60.09 0.37 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.036 -1.04 . . . . 0.0 108.652 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -69.92 150.08 66.77 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.116 1.877 . . . . 0.0 110.912 -179.564 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.9 m -60.27 140.11 57.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.192 -0.943 . . . . 0.0 109.423 -179.589 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.0 mt -97.07 176.37 5.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.202 -0.936 . . . . 0.0 110.497 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 98.9 mt-10 -127.04 -97.15 0.41 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.603 -0.685 . . . . 0.0 112.331 -178.072 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -59.72 138.13 57.85 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.467 -0.771 . . . . 0.0 111.178 -177.557 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.576 ' ND1' ' O ' ' A' ' 84' ' ' ALA . 77.0 m-70 -154.33 78.11 1.08 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.678 -0.639 . . . . 0.0 110.804 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.561 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -107.32 -89.66 0.45 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.374 -0.828 . . . . 0.0 109.297 179.689 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.23 79.05 0.05 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.015 -1.053 . . . . 0.0 109.069 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -67.06 -26.87 66.96 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.13 -41.37 88.11 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.676 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.93 99.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.814 -1.179 . . . . 0.0 108.213 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.03 -47.31 86.36 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -67.21 -31.51 71.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.493 -0.754 . . . . 0.0 109.839 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.91 -1.118 . . . . 0.0 108.593 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -60.05 -42.05 93.63 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 9.2 t-105 -61.01 -52.65 64.1 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.674 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 51.1 t0 -59.83 -38.9 83.34 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.315 -0.865 . . . . 0.0 109.569 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -86.04 -1.94 57.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.42 -179.467 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.91 153.03 44.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.01 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.6 m -73.65 165.9 24.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.863 -1.148 . . . . 0.0 109.915 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.6 p-10 -59.94 -40.09 87.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.735 -0.603 . . . . 0.0 110.11 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -62.69 -41.02 98.89 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 109.382 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.18 -43.01 99.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.947 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 104' ' ' ARG . 53.4 mtm-85 -68.6 -39.81 80.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.071 -1.018 . . . . 0.0 108.265 178.857 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -60.0 -41.22 91.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.407 -0.808 . . . . 0.0 109.106 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -50.02 75.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.094 -1.004 . . . . 0.0 109.838 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.505 -0.747 . . . . 0.0 109.403 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.97 -39.8 86.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.414 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.43 -39.59 92.27 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.541 -0.724 . . . . 0.0 111.611 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -88.54 -3.3 58.84 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.107 -0.996 . . . . 0.0 112.825 -177.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 5.7 tp -75.99 -38.26 2.41 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 120.065 -1.647 . . . . 0.0 111.841 -177.57 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.5 Cg_exo -65.45 -31.67 51.08 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.919 1.746 . . . . 0.0 111.897 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.07 65.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.048 -1.033 . . . . 0.0 110.361 -179.566 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.91 -46.47 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.739 -1.226 . . . . 0.0 108.974 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.5 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 109.101 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.63 99.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.375 -0.828 . . . . 0.0 109.496 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.35 95.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.524 -0.735 . . . . 0.0 109.818 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 37.4 t0 -60.0 -40.59 89.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.467 -0.771 . . . . 0.0 109.642 -179.402 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -60.62 -41.68 95.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 110.265 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.2 mmt -63.77 -40.04 95.73 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.49 -39.89 92.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.903 . . . . 0.0 110.701 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.09 -40.1 88.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.816 -1.178 . . . . 0.0 109.962 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.96 0.02 8.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.97 66.79 Favored Glycine 0 N--CA 1.5 2.902 0 O-C-N 121.211 -0.931 . . . . 0.0 111.575 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.63 146.99 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.085 -1.244 . . . . 0.0 109.64 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -55.3 137.97 46.44 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.029 -1.045 . . . . 0.0 109.653 -179.191 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 p -59.98 -43.63 94.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.567 -0.708 . . . . 0.0 110.648 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -59.91 -46.41 89.45 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.946 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.3 m -69.93 -40.27 75.63 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.338 -0.851 . . . . 0.0 109.617 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.392 -0.818 . . . . 0.0 110.447 -179.139 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -68.15 -39.96 82.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.037 . . . . 0.0 109.671 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.98 96.09 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -0.976 . . . . 0.0 108.979 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.3 m -60.99 -49.47 77.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 0.0 109.792 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.89 -48.5 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.03 -34.04 72.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.636 -0.665 . . . . 0.0 109.44 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.34 -51.14 18.44 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.26 -42.51 79.53 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.284 -1.127 . . . . 0.0 109.762 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.489 ' O ' ' O ' ' A' ' 135' ' ' ALA . 77.7 m-85 -94.5 141.77 28.2 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.128 . . . . 0.0 109.173 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.01 59.24 3.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.854 -1.154 . . . . 0.0 109.689 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.57 157.81 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.451 -0.781 . . . . 0.0 109.132 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 p -76.33 136.07 39.56 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.561 -0.712 . . . . 0.0 109.503 -179.248 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.21 88.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.3 -0.875 . . . . 0.0 111.256 -179.119 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 t -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.096 -1.003 . . . . 0.0 111.354 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -63.66 -50.35 69.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.904 -1.122 . . . . 0.0 111.081 -178.336 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.93 -44.93 94.06 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.384 -0.823 . . . . 0.0 109.887 -178.731 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -59.92 -44.05 94.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.145 -0.972 . . . . 0.0 110.475 -178.701 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.71 -40.54 92.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.554 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.24 -38.92 82.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.695 -0.628 . . . . 0.0 111.071 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -58.45 -43.98 89.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.218 -0.926 . . . . 0.0 110.404 -177.353 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -70.02 -38.94 76.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.78 -1.2 . . . . 0.0 109.824 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.16 -39.81 87.71 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.65 -11.33 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.819 -1.175 . . . . 0.0 109.817 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -58.15 -38.62 76.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.0 109.627 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.48 -5.89 53.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 110.33 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -110.81 150.34 29.27 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 179.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -68.13 152.98 44.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.48 -0.762 . . . . 0.0 109.839 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 0.1 OUTLIER -51.37 -49.9 79.41 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.991 -1.068 . . . . 0.0 111.544 -179.559 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -60.95 -24.94 80.56 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 CA-C-N 120.753 1.305 . . . . 0.0 112.957 -179.368 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.13 -6.74 58.95 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.955 -1.091 . . . . 0.0 110.205 -179.314 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.1 m0 -58.87 -40.01 83.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.9 82.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.067 -1.021 . . . . 0.0 109.587 -179.133 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.36 65.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -0.942 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.13 74.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' ASP . 96.3 mt -70.11 -18.65 63.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.963 . . . . 0.0 110.422 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.51 54.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.912 -1.118 . . . . 0.0 108.868 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 164' ' ' LEU . 94.4 m-20 -85.68 139.99 30.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.21 -0.931 . . . . 0.0 109.375 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -126.8 -160.94 10.73 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -80.09 131.33 35.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.101 -1.235 . . . . 0.0 108.888 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -169.87 -104.77 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.66 131.82 36.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -1.183 . . . . 0.0 110.068 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 10.3 m -83.65 167.55 17.14 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.236 -0.915 . . . . 0.0 109.701 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -61.26 140.95 57.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 109.388 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -90.28 -0.98 57.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 0.0 109.09 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.4 m120 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.3 179.337 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.6 tt -60.03 -30.17 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.83 -1.169 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.34 104.27 8.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.642 -1.287 . . . . 0.0 109.843 -179.367 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.52 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -51.67 -39.98 65.8 Favored Pre-proline 0 N--CA 1.499 2.001 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.515 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -69.92 150.21 66.92 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 CA-C-N 120.897 1.356 . . . . 0.0 113.61 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -69.93 149.95 47.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.557 0.694 . . . . 0.0 110.184 178.606 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -84.35 115.01 22.28 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -150.24 -40.24 0.13 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 109.686 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.99 101.17 13.5 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.745 -0.597 . . . . 0.0 110.178 -179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -177.5 106.8 0.06 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.259 -0.901 . . . . 0.0 109.415 178.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.44 -17.61 63.0 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.417 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 3.6 p90 -111.83 126.16 54.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.67 110.72 7.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.833 -1.167 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 89' ' ' ARG . 40.2 mtm-85 -79.28 -3.92 48.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.668 -0.645 . . . . 0.0 109.761 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.42 -40.28 74.44 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.75 96.89 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.466 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.1 tp -61.83 -49.47 76.18 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -67.96 -23.58 65.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.412 -0.805 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -59.74 -45.97 90.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.905 -1.122 . . . . 0.0 110.048 -178.564 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -39.31 93.85 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 8.6 t-105 -60.01 -48.47 81.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.514 -0.741 . . . . 0.0 109.399 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -59.75 -40.2 87.34 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -87.12 -2.07 58.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.743 . . . . 0.0 109.539 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.67 155.15 39.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 108.799 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 t -70.06 155.12 41.05 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.7 -39.89 90.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.373 -0.829 . . . . 0.0 110.0 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.03 -39.86 91.37 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.369 -0.832 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.79 -40.65 97.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.094 -1.004 . . . . 0.0 110.446 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -66.3 -39.95 89.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.0 109.222 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.93 92.25 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.581 -0.7 . . . . 0.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.99 -46.55 89.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.245 -0.909 . . . . 0.0 108.684 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.09 84.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.175 -0.953 . . . . 0.0 109.073 179.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.95 -40.89 90.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.289 -0.882 . . . . 0.0 110.36 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -66.18 -39.99 90.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.502 -0.749 . . . . 0.0 110.605 -178.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 114' ' ' VAL . 64.8 m95 -81.44 -10.09 59.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.191 -0.943 . . . . 0.0 111.372 -178.444 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.2 tp -73.7 -46.95 7.12 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.369 -1.457 . . . . 0.0 111.807 -178.555 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.0 Cg_endo -67.19 -25.42 43.24 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 121.725 1.616 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.27 62.32 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.069 . . . . 0.0 109.131 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 110' ' ' TRP . 61.5 t -68.3 -40.28 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.199 -0.938 . . . . 0.0 109.102 179.61 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.0 -40.24 90.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.996 -1.065 . . . . 0.0 109.964 -179.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.7 89.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.32 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 46.3 t0 -59.2 -40.97 87.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.78 179.518 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.29 -44.39 95.41 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.326 -0.95 . . . . 0.0 108.818 179.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.02 -40.0 94.24 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.616 -0.678 . . . . 0.0 110.895 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.927 . . . . 0.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.59 -37.96 83.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.28 -0.888 . . . . 0.0 109.797 -179.285 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.5 -3.69 12.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.626 -0.671 . . . . 0.0 109.408 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.24 30.73 62.34 Favored Glycine 0 N--CA 1.499 2.86 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.111 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.51 147.17 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -1.105 . . . . 0.0 108.703 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.3 t -58.36 139.45 55.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.291 -178.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 p -56.51 -45.21 81.2 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 -179.15 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.91 -46.34 89.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.989 -1.069 . . . . 0.0 108.649 -179.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.4 m -67.27 -45.31 77.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 109.058 179.276 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.01 75.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.433 -0.792 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.71 -39.81 80.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.188 -0.945 . . . . 0.0 109.842 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.757 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.9 m -63.6 -46.45 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 109.143 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.52 -42.8 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.316 -0.865 . . . . 0.0 108.671 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.39 -29.41 70.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 178.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.61 -53.45 9.92 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.64 -1.784 . . . . 0.0 108.64 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -67.84 -40.95 83.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' ' O ' ' A' ' 135' ' ' ALA . 85.7 m-85 -99.5 133.57 43.63 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.927 -1.108 . . . . 0.0 109.367 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -81.1 61.25 4.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 108.835 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -130.18 159.64 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.217 -0.927 . . . . 0.0 109.83 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -73.25 129.48 38.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.99 85.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.017 -1.052 . . . . 0.0 109.114 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.3 m -63.41 -40.17 96.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 110.991 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.4 m -64.76 -50.69 65.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 -179.303 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.22 -40.18 89.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.418 -0.801 . . . . 0.0 110.543 -179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -60.51 -48.71 80.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 110.199 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 50.3 t0 -60.64 -45.72 93.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.0 110.271 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.414 -0.804 . . . . 0.0 109.792 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.9 -43.92 94.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 0.0 110.033 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.78 -36.88 76.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.646 -1.284 . . . . 0.0 108.631 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.43 -40.35 90.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 110.781 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.02 -15.02 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 110.009 -179.038 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.07 -39.17 81.3 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.477 -0.764 . . . . 0.0 110.288 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -77.35 -9.53 58.9 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.943 -178.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -111.88 144.47 41.14 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.411 -0.805 . . . . 0.0 110.848 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -59.87 144.87 47.63 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.906 0.86 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.535 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 33.3 mttp -52.09 -50.09 80.76 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.472 -0.768 . . . . 0.0 112.598 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 9.6 Cg_endo -51.88 -30.48 38.99 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.407 1.405 . . . . 0.0 112.825 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 4.5 p30 -89.35 -1.07 57.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.228 -0.92 . . . . 0.0 109.699 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 160' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 157' ' ' LYS . 28.5 m0 -58.79 -39.75 82.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.106 -0.996 . . . . 0.0 109.613 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.66 92.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.837 -1.164 . . . . 0.0 108.002 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.586 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.09 -39.4 75.59 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.654 -0.654 . . . . 0.0 109.27 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.63 87.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.271 -179.387 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 32.2 mt -74.55 -2.36 25.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.028 -1.045 . . . . 0.0 110.702 -178.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.9 p -69.14 -38.4 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.721 -1.237 . . . . 0.0 109.187 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -84.03 160.15 21.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.23 -0.919 . . . . 0.0 109.287 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -158.81 109.98 0.42 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -86.67 129.84 34.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.611 -0.935 . . . . 0.0 108.942 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -83.33 -147.09 7.12 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.04 158.67 33.88 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.173 -1.192 . . . . 0.0 109.892 -179.602 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 12.9 t -61.52 118.88 7.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.938 . . . . 0.0 109.386 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -66.64 -38.76 87.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.731 -0.605 . . . . 0.0 109.742 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -88.0 127.7 35.39 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.013 -1.054 . . . . 0.0 109.853 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 26.1 m120 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.408 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.0 tp . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -69.17 -30.45 68.67 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.413 -0.805 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -59.98 -40.24 88.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.011 -1.055 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.13 -40.41 94.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.199 -0.938 . . . . 0.0 108.709 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.588 ' NE1' ' NH1' ' A' ' 104' ' ' ARG . 5.2 t-105 -60.17 -49.72 76.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.45 -0.781 . . . . 0.0 108.928 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.407 ' C ' HH22 ' A' ' 104' ' ' ARG . 64.4 t0 -53.69 -33.2 54.62 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.196 -0.94 . . . . 0.0 109.961 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -87.32 -3.15 59.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.59 150.75 46.73 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.324 -0.86 . . . . 0.0 109.339 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 t -71.04 159.93 33.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.118 -0.989 . . . . 0.0 109.191 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.01 -39.1 84.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.547 -0.72 . . . . 0.0 109.927 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.8 t -60.66 -40.7 93.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.87 -39.93 91.04 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.1 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.588 ' NH1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 mtt-85 -60.54 -40.08 90.22 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.154 -0.966 . . . . 0.0 108.824 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.12 -41.87 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.549 -0.72 . . . . 0.0 110.177 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.21 -50.0 75.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.051 -1.031 . . . . 0.0 109.364 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.04 93.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 0.0 109.891 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.0 -39.67 86.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.462 -0.774 . . . . 0.0 109.612 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 114' ' ' VAL . 88.7 m95 -88.88 -4.16 58.55 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.889 -1.132 . . . . 0.0 113.711 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 8.0 tp -76.33 -38.41 2.29 Favored Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 119.561 -1.962 . . . . 0.0 111.525 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 11.9 Cg_exo -69.27 -31.55 22.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.55 -40.0 57.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 110.324 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 110' ' ' TRP . 31.4 t -67.07 -47.41 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.845 -1.16 . . . . 0.0 108.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.91 -40.17 94.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.111 -0.993 . . . . 0.0 109.612 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.39 92.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.684 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.17 90.1 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 110.196 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.52 -42.07 91.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.9 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 99.0 mt-10 -63.2 -39.99 96.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.512 -0.742 . . . . 0.0 109.408 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.7 mmm -62.4 -40.03 95.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.844 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.6 -39.55 94.67 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.22 -0.925 . . . . 0.0 111.235 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.6 p30 -65.17 -18.64 65.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.77 -1.206 . . . . 0.0 110.867 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.53 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 59.1 tt0 -81.15 -4.04 54.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 108.974 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.26 25.16 75.13 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.617 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.33 147.59 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.261 . . . . 0.0 108.571 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.9 p -56.46 141.53 42.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.097 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -59.36 -39.98 85.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.404 -0.81 . . . . 0.0 110.264 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -58.92 -47.73 83.97 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.16 -0.962 . . . . 0.0 109.235 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -69.01 -41.9 77.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.194 -0.942 . . . . 0.0 109.498 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.459 -0.776 . . . . 0.0 110.204 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -69.29 -40.12 77.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.152 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.39 97.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.794 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.7 m -62.35 -46.44 88.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.074 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.35 -45.88 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.941 -1.099 . . . . 0.0 108.632 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.35 -33.54 73.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.525 -0.734 . . . . 0.0 109.033 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.53 -49.11 26.29 Favored Glycine 0 C--N 1.295 -1.701 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.81 -40.28 69.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.177 -1.19 . . . . 0.0 110.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.9 m-85 -99.27 137.84 37.21 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.085 -1.009 . . . . 0.0 108.843 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -84.81 61.02 6.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.835 -1.165 . . . . 0.0 109.165 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.95 160.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.474 -0.766 . . . . 0.0 109.16 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.9 t -72.65 128.38 35.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.73 91.93 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.044 -1.035 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.9 m -62.01 -40.06 94.37 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.916 -1.115 . . . . 0.0 110.362 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 57.7 m -62.81 -49.12 76.21 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.231 -0.918 . . . . 0.0 110.358 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.55 -40.15 90.52 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.327 -0.858 . . . . 0.0 110.148 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.21 -49.19 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.953 -1.092 . . . . 0.0 109.655 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.51 -41.15 93.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.156 -0.965 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -68.28 -37.27 80.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -59.89 -47.39 85.97 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -69.78 -37.5 76.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.957 -1.09 . . . . 0.0 109.954 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.976 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.99 -10.95 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.45 -1.406 . . . . 0.0 109.956 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -38.67 83.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 109.553 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -75.89 -11.51 59.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 110.241 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.86 155.92 18.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.939 -1.101 . . . . 0.0 110.164 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -52.19 149.99 4.91 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.584 0.707 . . . . 0.0 109.134 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.9 ttpp -66.49 -40.7 35.45 Favored Pre-proline 0 C--N 1.299 -1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 111.992 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 156' ' ' ALA . 97.0 Cg_endo -80.13 -21.88 7.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.713 1.609 . . . . 0.0 113.952 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 35.9 p-10 -82.12 4.88 21.47 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.545 -1.347 . . . . 0.0 108.856 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 31.5 m0 -58.65 -40.75 84.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.97 89.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.337 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -73.36 -39.98 64.76 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.352 -0.843 . . . . 0.0 109.34 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.531 -0.73 . . . . 0.0 110.686 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.22 -9.18 58.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.879 -1.138 . . . . 0.0 109.6 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.3 p . . . . . 0 N--CA 1.488 1.461 0 O-C-N 120.989 -1.07 . . . . 0.0 108.935 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 tp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.645 0.736 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -68.66 -29.78 68.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.689 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.4 t -60.15 -40.67 90.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.372 -1.455 . . . . 0.0 109.14 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.3 t-105 -60.13 -43.37 95.73 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.283 -0.886 . . . . 0.0 109.617 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.15 -39.71 83.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -80.42 -6.79 58.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.931 . . . . 0.0 109.184 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.62 153.52 42.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.093 -1.004 . . . . 0.0 109.501 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.4 p -75.88 164.82 25.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 30.4 p-10 -60.05 -40.19 88.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 93.5 p -60.03 -39.58 86.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.0 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.64 -40.24 88.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.264 -0.898 . . . . 0.0 111.149 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.2 mtm180 -64.52 -41.39 96.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.56 -1.338 . . . . 0.0 110.99 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.53 -37.35 77.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.643 -1.285 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.18 -46.9 88.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.904 -1.122 . . . . 0.0 108.685 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.11 94.45 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.77 -38.19 84.43 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.37 -0.831 . . . . 0.0 109.236 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.37 -37.37 80.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.162 -0.961 . . . . 0.0 111.144 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -86.71 -7.93 57.86 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.929 -1.107 . . . . 0.0 113.222 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 26.0 tp -76.82 -36.21 1.58 Allowed Pre-proline 0 N--CA 1.506 2.371 0 O-C-N 119.502 -1.998 . . . . 0.0 112.463 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.3 Cg_exo -67.69 -32.71 29.74 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.62 2.213 . . . . 0.0 112.165 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.75 60.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -0.942 . . . . 0.0 109.717 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.78 -41.97 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.958 . . . . 0.0 108.854 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.35 -43.69 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.056 -1.027 . . . . 0.0 109.685 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.91 86.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 0.0 110.563 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.4 90.35 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.185 -0.947 . . . . 0.0 110.373 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.09 -41.48 92.56 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.928 -1.107 . . . . 0.0 109.378 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.8 -45.65 88.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.208 -0.932 . . . . 0.0 109.595 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.3 mtt -64.58 -40.14 94.99 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.949 -1.094 . . . . 0.0 110.012 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.67 -36.94 84.5 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.59 -0.694 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.1 -35.92 76.28 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.11 -0.994 . . . . 0.0 110.34 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.97 -1.33 9.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.131 -0.981 . . . . 0.0 108.79 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 36.06 55.43 Favored Glycine 0 N--CA 1.493 2.451 0 O-C-N 121.352 -0.842 . . . . 0.0 111.263 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.85 145.35 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -53.09 130.04 32.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.95 -1.094 . . . . 0.0 109.518 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -54.11 -44.59 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.437 -0.789 . . . . 0.0 110.48 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -59.81 -47.63 84.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 0.0 109.045 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.5 m -66.16 -44.81 83.03 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.49 69.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.434 -0.791 . . . . 0.0 110.414 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.84 -39.34 87.58 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.927 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.61 88.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 0.0 109.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -61.77 -40.28 94.63 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.053 -1.029 . . . . 0.0 110.128 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.06 -46.81 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.5 -31.22 72.32 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.315 -0.866 . . . . 0.0 108.712 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.83 -50.82 33.03 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.54 -44.09 45.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.972 . . . . 0.0 110.073 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.2 m-85 -93.7 139.26 31.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -83.93 63.13 7.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.921 -1.112 . . . . 0.0 109.508 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.13 156.97 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.2 m -74.41 131.61 41.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.059 -1.026 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.09 84.9 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.639 0.733 . . . . 0.0 109.051 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -67.47 -42.1 83.56 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.583 -0.698 . . . . 0.0 110.474 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.7 m -65.07 -47.5 77.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.441 -1.412 . . . . 0.0 109.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.5 -42.15 95.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.886 . . . . 0.0 109.382 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.04 -50.21 74.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.148 -0.97 . . . . 0.0 110.585 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -64.25 -43.03 96.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.225 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -61.99 -39.12 91.14 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.513 -0.742 . . . . 0.0 109.701 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -58.93 -47.07 86.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.834 -1.166 . . . . 0.0 110.368 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -60.54 -39.91 89.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.998 -1.064 . . . . 0.0 110.64 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.97 -40.5 93.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 111.178 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.48 -8.46 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.022 -1.049 . . . . 0.0 110.542 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.48 -38.66 81.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 0.0 109.929 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.93 -3.92 44.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.613 -0.68 . . . . 0.0 109.437 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.47 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 66.1 m-85 -110.6 142.68 42.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.608 -0.682 . . . . 0.0 110.275 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.534 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.57 147.98 25.42 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.569 -0.707 . . . . 0.0 109.991 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 33.5 mmtm -60.24 -39.8 71.58 Favored Pre-proline 0 N--CA 1.502 2.152 0 O-C-N 120.818 -1.176 . . . . 0.0 111.403 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 34.5 Cg_exo -59.8 -36.65 90.55 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.271 1.981 . . . . 0.0 112.993 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 6.3 p-10 -89.06 0.4 56.73 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.639 -1.288 . . . . 0.0 111.046 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.3 m0 -59.38 -40.13 85.56 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.668 -1.27 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.09 86.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.152 . . . . 0.0 109.614 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.591 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.08 -39.91 75.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.84 . . . . 0.0 109.591 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.96 88.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.987 -1.071 . . . . 0.0 110.409 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 98.6 mt -71.04 -1.79 13.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 110.452 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 162' ' ' ALA . 7.4 p . . . . . 0 N--CA 1.49 1.53 0 O-C-N 120.939 -1.1 . . . . 0.0 109.681 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.273 0.559 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.003 -1.061 . . . . 0.0 111.12 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.7 m -60.02 -39.64 86.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.912 -1.117 . . . . 0.0 109.764 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.23 -40.36 93.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.7 -1.25 . . . . 0.0 109.365 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.5 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.29 -45.64 92.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.016 -1.053 . . . . 0.0 108.788 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 63.0 t0 -59.17 -39.78 83.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.439 -0.788 . . . . 0.0 109.496 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -85.5 -4.01 59.03 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.604 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.87 150.52 48.47 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.423 -0.798 . . . . 0.0 109.25 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.7 p -71.22 161.89 30.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.664 -1.272 . . . . 0.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.12 -40.09 88.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.954 -1.091 . . . . 0.0 110.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -59.01 -39.49 82.02 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.817 -1.177 . . . . 0.0 109.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.41 -40.36 93.29 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.059 -1.026 . . . . 0.0 109.784 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.502 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 94.5 mtt180 -67.73 -40.72 84.16 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.037 -1.039 . . . . 0.0 109.471 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.434 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 37.6 ttm-85 -63.42 -39.73 95.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.03 -43.26 95.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.326 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.61 98.26 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.941 -1.099 . . . . 0.0 109.81 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.345 -0.847 . . . . 0.0 109.268 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -67.39 -33.99 76.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.591 -0.693 . . . . 0.0 111.272 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.27 -10.47 52.3 Favored 'General case' 0 N--CA 1.516 2.852 0 O-C-N 120.645 -1.285 . . . . 0.0 113.551 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 10.1 tp -75.85 -38.64 2.59 Favored Pre-proline 0 N--CA 1.512 2.645 0 O-C-N 119.62 -1.925 . . . . 0.0 111.033 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 32.3 Cg_exo -59.14 -33.26 98.29 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.622 2.215 . . . . 0.0 112.199 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.15 -44.85 28.77 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.478 -1.389 . . . . 0.0 110.425 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.6 -42.83 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.743 -1.223 . . . . 0.0 109.043 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.28 -42.98 92.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.477 -0.764 . . . . 0.0 110.217 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.008 -1.057 . . . . 0.0 109.77 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.97 94.16 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.456 -0.778 . . . . 0.0 110.14 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 58.8 t0 -59.77 -41.51 91.24 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.109 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.56 -43.25 97.48 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.862 -1.149 . . . . 0.0 109.646 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.04 -39.83 91.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.625 -0.672 . . . . 0.0 110.62 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.43 -28.21 69.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.813 -1.179 . . . . 0.0 109.39 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.77 -27.71 68.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.983 -1.073 . . . . 0.0 109.176 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -80.22 -2.8 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.581 -0.7 . . . . 0.0 109.139 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.39 33.35 61.49 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.162 -1.018 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.97 139.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -1.034 . . . . 0.0 108.481 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.4 p -51.81 141.39 17.32 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.995 -1.066 . . . . 0.0 109.856 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -57.5 -43.26 84.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.133 -0.979 . . . . 0.0 111.091 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.95 -46.15 90.34 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.79 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -69.18 -41.24 77.46 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 120.884 -1.135 . . . . 0.0 109.241 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.55 69.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.557 -0.715 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -67.7 -39.58 84.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.222 . . . . 0.0 110.484 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.67 76.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.465 -1.397 . . . . 0.0 108.504 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.198 0.523 . . . . 0.0 110.811 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.17 -40.68 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.856 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.66 -24.53 64.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.07 -1.019 . . . . 0.0 109.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.65 -49.08 19.94 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -73.8 -41.71 61.98 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -1.101 . . . . 0.0 109.09 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.7 m-85 -98.38 133.24 43.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.517 -0.739 . . . . 0.0 109.051 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -80.47 62.2 4.48 Favored 'General case' 0 C--O 1.2 -1.524 0 O-C-N 120.893 -1.129 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.12 150.46 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.9 t -68.38 130.59 43.33 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.567 0.698 . . . . 0.0 110.038 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.86 91.72 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.152 -0.967 . . . . 0.0 110.717 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.0 m -63.27 -39.96 96.05 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.63 -0.669 . . . . 0.0 110.106 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.0 m -66.91 -49.84 64.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.491 -1.38 . . . . 0.0 110.905 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.67 -40.93 89.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.948 -1.095 . . . . 0.0 109.632 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -59.72 -49.88 76.03 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.379 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.31 -40.69 95.13 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.781 -1.2 . . . . 0.0 109.466 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.521 ' HZ1' ' CD2' ' A' ' 164' ' ' LEU . 8.4 mtpm? -69.77 -35.36 74.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 0.0 110.545 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.72 -47.58 85.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.839 -1.163 . . . . 0.0 110.391 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -70.44 -35.43 73.35 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.317 -0.864 . . . . 0.0 109.977 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.709 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.13 -9.08 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.55 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.18 -40.77 86.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.45 -10.43 59.46 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.955 -1.09 . . . . 0.0 110.155 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -102.46 142.03 34.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.182 -0.949 . . . . 0.0 109.093 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.36 145.96 49.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 14.3 mttm -52.92 -49.95 84.32 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 53.6 Cg_exo -49.65 -34.93 36.52 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.336 2.024 . . . . 0.0 113.075 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -88.13 -4.07 58.8 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -58.25 -39.66 79.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.657 -1.277 . . . . 0.0 109.933 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.05 72.84 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.873 -1.131 . . . . 0.0 109.248 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -72.96 -40.22 65.53 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.047 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.88 83.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.162 -0.961 . . . . 0.0 110.204 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . 0.521 ' CD2' ' HZ1' ' A' ' 148' ' ' LYS . 80.4 mt -72.54 -0.98 14.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.534 -0.729 . . . . 0.0 109.988 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.5 p . . . . . 0 C--N 1.301 -1.527 0 O-C-N 120.876 -1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.321 0.581 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -64.42 -32.95 74.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -59.91 -39.33 85.05 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.805 -1.184 . . . . 0.0 107.923 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.178 -0.951 . . . . 0.0 108.91 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.455 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.6 t-105 -60.4 -49.32 78.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.006 -1.059 . . . . 0.0 109.529 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -58.18 -38.93 77.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.384 -0.823 . . . . 0.0 110.009 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 98' ' ' ASN . 2.1 m120 -81.67 -3.38 53.4 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.92 -1.113 . . . . 0.0 109.317 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.47 154.32 42.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.49 -0.756 . . . . 0.0 109.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 p -73.22 160.26 32.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.271 -0.893 . . . . 0.0 109.915 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.26 -40.01 88.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.744 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.5 t -60.01 -40.01 87.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 110.079 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.02 -40.52 95.98 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.147 -0.971 . . . . 0.0 110.354 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -66.05 -39.97 90.55 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.319 -0.863 . . . . 0.0 109.622 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.3 -39.92 88.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 110.605 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.19 -50.28 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.084 -1.01 . . . . 0.0 109.117 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.27 96.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.0 109.797 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.367 0.603 . . . . 0.0 109.489 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.24 -39.35 86.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 111.298 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -85.82 -8.99 57.75 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.934 -1.104 . . . . 0.0 113.584 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 23.7 tp -74.76 -36.94 2.57 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 119.461 -2.025 . . . . 0.0 112.293 -177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.1 Cg_exo -64.03 -32.57 64.53 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.146 1.897 . . . . 0.0 112.388 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.61 53.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.38 -0.825 . . . . 0.0 110.485 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -44.58 79.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.121 -0.987 . . . . 0.0 110.199 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -65.17 -42.23 93.87 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.784 -1.197 . . . . 0.0 110.37 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.49 90.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.141 -0.974 . . . . 0.0 109.975 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.65 94.65 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -59.91 -44.16 94.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.738 . . . . 0.0 109.439 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.05 -40.77 94.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.115 -0.991 . . . . 0.0 109.252 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.31 -40.14 89.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.324 -0.86 . . . . 0.0 109.738 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.53 -30.71 70.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.618 -0.676 . . . . 0.0 109.705 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.52 -40.16 90.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -73.46 -3.06 25.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.87 -1.144 . . . . 0.0 108.573 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.81 41.41 42.02 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.234 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 79.7 mt -78.6 145.04 10.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.026 -1.279 . . . . 0.0 108.808 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -51.01 138.18 19.96 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.032 -1.042 . . . . 0.0 110.005 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 p -58.8 -46.0 88.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.572 -0.705 . . . . 0.0 110.466 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -60.03 -47.81 84.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.919 -1.113 . . . . 0.0 109.272 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.8 m -66.51 -43.81 84.26 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.335 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.65 80.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.332 -0.855 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.6 -40.08 80.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.646 -1.284 . . . . 0.0 109.168 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.76 92.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.124 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.7 m -62.55 -44.99 94.98 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.835 -1.165 . . . . 0.0 109.5 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.62 -42.96 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.238 -0.914 . . . . 0.0 109.207 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.37 -30.4 70.78 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.554 -1.341 . . . . 0.0 109.198 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.04 10.96 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.56 -41.75 83.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.693 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 135' ' ' ALA . 93.5 m-85 -101.86 132.75 47.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.282 -0.886 . . . . 0.0 109.36 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -81.93 66.63 7.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.746 -1.221 . . . . 0.0 108.907 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.07 155.31 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.788 -0.57 . . . . 0.0 109.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t -70.34 130.0 40.8 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.187 -0.946 . . . . 0.0 109.24 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.317 -0.865 . . . . 0.0 108.942 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.4 t -64.41 -40.87 96.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.2 m -65.78 -46.59 78.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.521 -1.362 . . . . 0.0 108.576 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.07 -40.87 91.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' A' ' 146' ' ' ARG . 28.5 ttt-85 -60.08 -50.63 72.96 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.201 -0.937 . . . . 0.0 110.49 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -59.97 -42.14 93.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.902 -1.124 . . . . 0.0 110.47 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.98 -34.28 76.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 110.259 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.94 -48.7 80.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.865 -1.147 . . . . 0.0 110.473 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -69.96 -35.15 74.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.908 -1.12 . . . . 0.0 110.478 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.803 -1.186 . . . . 0.0 110.604 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.38 -15.5 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.801 -1.187 . . . . 0.0 110.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.377 -0.827 . . . . 0.0 109.755 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.04 -4.04 42.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.001 -1.062 . . . . 0.0 110.099 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.65 152.54 24.67 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -60.45 140.34 57.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.285 -0.884 . . . . 0.0 108.781 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -57.91 -40.82 86.44 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.9 -1.125 . . . . 0.0 110.7 -178.096 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.3 Cg_exo -62.43 -30.19 79.96 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.116 1.877 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -88.8 -0.82 57.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.199 -0.938 . . . . 0.0 110.628 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -57.47 -39.35 76.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.139 -0.976 . . . . 0.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.01 84.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.69 -1.256 . . . . 0.0 109.536 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.68 -39.29 52.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.61 80.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 0.0 110.473 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.67 -39.45 91.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.823 -1.173 . . . . 0.0 109.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.9 t . . . . . 0 N--CA 1.493 1.718 0 O-C-N 120.745 -1.222 . . . . 0.0 110.36 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.418 0.628 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.0 -34.54 73.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.1 m -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.854 -1.154 . . . . 0.0 109.623 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.57 -40.07 94.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 108.982 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 5.2 t-105 -60.06 -47.31 86.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.72 . . . . 0.0 110.07 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -58.94 -40.02 83.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.995 -1.066 . . . . 0.0 108.946 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.01 -0.21 57.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.396 -0.815 . . . . 0.0 110.392 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.45 155.8 24.52 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.839 -1.163 . . . . 0.0 109.226 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 158.33 35.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.98 -1.075 . . . . 0.0 108.965 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -59.91 -39.98 87.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.39 -0.819 . . . . 0.0 110.082 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.9 p -59.96 -39.84 86.99 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.96 -42.1 97.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.435 -0.791 . . . . 0.0 110.742 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.411 ' CZ ' ' CB ' ' A' ' 104' ' ' ARG . 7.8 mtm-85 -65.17 -40.08 93.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.547 -1.345 . . . . 0.0 109.097 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -65.46 -39.74 92.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.93 -49.17 78.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 108.99 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.97 90.78 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.318 -0.864 . . . . 0.0 108.759 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.78 -40.09 91.28 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.613 -0.679 . . . . 0.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -68.28 -40.04 81.94 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.079 -1.013 . . . . 0.0 111.398 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -81.96 -8.93 59.7 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.8 tp -73.48 -49.08 6.8 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 120.798 -1.189 . . . . 0.0 111.747 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 46.3 Cg_endo -66.38 -26.08 48.44 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 CA-C-N 120.961 1.379 . . . . 0.0 112.639 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.38 -44.51 29.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.741 -1.225 . . . . 0.0 109.706 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -40.56 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.09 84.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.75 87.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.85 -43.4 94.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.112 -0.993 . . . . 0.0 109.122 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 85.9 tt0 -60.18 -41.55 93.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.058 -1.026 . . . . 0.0 110.068 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.6 mtp -72.76 -39.99 66.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.634 -1.291 . . . . 0.0 111.809 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.82 -40.01 96.06 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.001 -1.062 . . . . 0.0 111.051 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 5.5 p-10 -70.34 -12.65 61.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.8 -1.188 . . . . 0.0 109.328 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.5 0.27 50.39 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.099 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.49 24.21 76.64 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.0 mt -76.15 140.18 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.059 -1.26 . . . . 0.0 107.688 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -57.02 139.19 53.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.86 -1.15 . . . . 0.0 109.595 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -56.0 -42.27 76.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.328 -0.858 . . . . 0.0 110.218 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -59.87 -43.21 94.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.958 -1.089 . . . . 0.0 109.531 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -69.99 -44.29 69.68 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.817 -1.177 . . . . 0.0 109.761 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.66 76.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.22 -0.925 . . . . 0.0 110.388 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -68.22 -40.25 82.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.952 -1.093 . . . . 0.0 109.734 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.89 87.97 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.145 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 57.7 m -61.9 -45.65 92.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 0.0 109.716 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.17 -49.11 82.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.866 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.81 -35.94 79.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.449 -0.782 . . . . 0.0 109.325 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.21 -48.15 40.5 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.71 -41.6 71.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.962 -1.316 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.3 m-85 -101.0 136.29 41.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.453 -0.779 . . . . 0.0 109.499 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -82.49 65.19 7.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.733 -1.229 . . . . 0.0 108.949 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.04 159.88 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.305 -0.872 . . . . 0.0 109.441 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -72.64 129.1 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.052 -1.03 . . . . 0.0 109.882 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.04 87.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 t -67.65 -40.33 84.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.129 -0.982 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 60.2 m -61.04 -48.97 79.31 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.125 -0.985 . . . . 0.0 110.51 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.25 -41.41 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.269 -0.894 . . . . 0.0 110.375 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -59.92 -51.13 70.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 110.344 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.08 -40.14 92.56 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.808 -1.182 . . . . 0.0 111.059 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -68.61 -36.8 79.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.262 -0.899 . . . . 0.0 111.264 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.98 -47.73 84.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.772 -1.205 . . . . 0.0 109.335 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -61.1 -39.83 91.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.849 -1.157 . . . . 0.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.0 -40.13 88.14 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.887 -1.133 . . . . 0.0 111.049 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.72 -12.94 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.665 -1.272 . . . . 0.0 111.047 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -59.87 -33.26 71.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.112 . . . . 0.0 109.876 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.22 -24.53 61.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.943 . . . . 0.0 109.884 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -104.79 152.66 22.3 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.221 -0.924 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.9 45.89 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.402 -0.811 . . . . 0.0 110.519 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -49.46 -61.18 3.74 Favored Pre-proline 0 N--CA 1.487 1.42 0 O-C-N 121.625 -0.672 . . . . 0.0 110.783 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -30.45 -42.52 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.662 2.241 . . . . 0.0 114.46 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -88.87 0.42 56.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.749 -1.22 . . . . 0.0 111.271 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -57.8 -39.55 77.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.071 -1.018 . . . . 0.0 109.035 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.41 76.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.237 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.58 -38.26 48.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 110.345 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.21 80.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.195 -0.941 . . . . 0.0 110.458 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.57 -23.98 64.55 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.325 -0.86 . . . . 0.0 109.905 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 109.905 -179.325 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.5 tp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 122.024 0.916 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -68.75 -27.27 65.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -59.96 -40.21 88.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.228 -1.545 . . . . 0.0 108.914 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -61.13 -40.24 93.06 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.918 -1.114 . . . . 0.0 108.251 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -62.37 -44.63 96.02 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.698 -0.626 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 47.7 t0 -59.44 -39.75 84.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.027 -1.046 . . . . 0.0 109.194 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -81.83 -4.95 57.71 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 109.893 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.09 156.17 38.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.579 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -71.37 154.39 41.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.024 -1.047 . . . . 0.0 109.759 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.9 p-10 -58.56 -40.44 83.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 109.59 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.568 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 24.1 t -60.51 -40.79 92.66 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.893 -1.129 . . . . 0.0 110.509 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -65.26 -41.02 94.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.8 mtm180 -66.33 -40.22 89.74 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.625 -1.297 . . . . 0.0 109.612 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 105' ' ' ARG . 56.5 mtt-85 -64.22 -39.66 94.43 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.474 -0.767 . . . . 0.0 109.27 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.375 0.607 . . . . 0.0 110.199 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.63 90.42 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.883 -1.136 . . . . 0.0 109.019 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -40.15 88.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.743 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.32 -39.27 92.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.082 . . . . 0.0 110.006 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 114' ' ' VAL . 69.5 m95 -84.1 -8.0 59.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.715 -0.615 . . . . 0.0 111.81 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 16.7 tp -73.58 -44.57 7.24 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.323 -1.485 . . . . 0.0 112.06 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.4 Cg_endo -68.6 -27.37 32.7 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 121.273 1.315 . . . . 0.0 113.542 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -39.91 59.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.909 -1.119 . . . . 0.0 109.707 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.2 t -69.42 -40.54 80.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.97 -1.082 . . . . 0.0 108.704 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -67.52 -41.5 84.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.308 -0.87 . . . . 0.0 108.804 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.68 97.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.337 -0.852 . . . . 0.0 110.092 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.63 93.67 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 0.0 110.329 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.34 -41.5 89.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.887 -1.133 . . . . 0.0 109.169 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.1 -39.73 93.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.646 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.8 mmt -64.62 -40.41 95.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.788 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.05 -39.7 93.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.751 -1.218 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.81 -20.72 63.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.093 -1.005 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -78.46 -4.02 46.34 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.07 20.02 77.63 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.552 -1.309 . . . . 0.0 110.883 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.5 mt -77.7 140.92 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.998 -1.295 . . . . 0.0 108.436 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 m -51.2 141.18 15.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.475 -0.765 . . . . 0.0 109.971 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -57.33 -43.88 83.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.238 -0.913 . . . . 0.0 110.043 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.06 -46.97 86.9 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.069 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 91.0 m -67.88 -40.66 83.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.781 -1.199 . . . . 0.0 108.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.36 58.86 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.127 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -70.07 -40.23 75.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.6 93.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.828 -0.545 . . . . 0.0 109.582 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.2 m -62.27 -42.3 99.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.038 -1.039 . . . . 0.0 109.473 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.47 -49.33 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.407 -0.808 . . . . 0.0 109.212 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.3 65.95 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.172 -0.955 . . . . 0.0 108.581 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.94 -43.49 57.83 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 107.799 -2.12 . . . . 0.0 107.799 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -80.01 -52.22 8.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.188 -1.183 . . . . 0.0 109.318 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -91.28 131.11 37.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.584 -0.697 . . . . 0.0 109.341 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -83.73 68.86 10.05 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.742 -1.224 . . . . 0.0 109.364 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -131.17 160.12 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.457 -0.777 . . . . 0.0 109.049 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.3 t -71.42 129.52 39.01 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.276 -0.89 . . . . 0.0 109.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.85 97.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 110.125 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.1 m -60.88 -40.07 91.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 110.227 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.38 -46.87 78.4 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.17 -45.22 93.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.473 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -60.07 -48.22 82.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.372 -0.83 . . . . 0.0 111.104 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 52.1 t0 -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.927 -1.108 . . . . 0.0 110.101 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -69.27 -35.77 76.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.629 -1.294 . . . . 0.0 111.191 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . 0.419 ' O ' HG22 ' A' ' 152' ' ' VAL . 36.1 t80 -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.723 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.403 ' O ' ' CG ' ' A' ' 153' ' ' GLN . 47.0 m-85 -62.46 -38.86 91.42 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.241 -0.912 . . . . 0.0 109.769 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.77 -39.69 85.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.049 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 149' ' ' TYR . 24.9 m -77.45 -10.3 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.524 -1.36 . . . . 0.0 110.857 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.5 ' C ' HE21 ' A' ' 153' ' ' GLN . 0.0 OUTLIER -57.84 -28.91 64.54 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.894 -1.129 . . . . 0.0 110.436 -179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.36 -9.48 59.6 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.178 -0.951 . . . . 0.0 109.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -111.08 142.65 42.96 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.28 -0.887 . . . . 0.0 110.372 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -55.89 144.16 29.11 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 24.1 mmtm -50.13 -42.87 74.79 Favored Pre-proline 0 N--CA 1.506 2.342 0 O-C-N 120.917 -1.115 . . . . 0.0 111.055 -177.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 15.7 Cg_exo -69.02 -26.56 30.94 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.441 2.094 . . . . 0.0 112.234 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -87.28 -5.78 58.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.045 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -52.94 -24.32 9.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.164 -0.96 . . . . 0.0 109.617 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.16 90.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.827 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.69 -30.4 59.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 109.425 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.588 -0.695 . . . . 0.0 110.006 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.97 -38.72 86.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.88 -1.138 . . . . 0.0 109.879 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.497 1.876 0 O-C-N 121.312 -0.868 . . . . 0.0 109.967 -179.513 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.448 0.642 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -67.92 -30.3 69.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 111.042 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.9 t -60.0 -40.35 88.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.271 -1.518 . . . . 0.0 108.541 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.44 -41.78 94.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.929 -1.107 . . . . 0.0 108.566 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CE3' ' NH1' ' A' ' 104' ' ' ARG . 2.9 t-105 -64.07 -45.45 88.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.844 0.831 . . . . 0.0 109.114 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.08 -39.34 85.72 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 109.001 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.67 -0.06 56.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.896 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.54 160.75 32.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 109.693 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.7 t -70.07 146.25 51.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.144 -0.973 . . . . 0.0 109.348 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.0 -40.72 90.2 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.198 -0.938 . . . . 0.0 110.739 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.9 p -60.06 -39.87 87.47 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 109.815 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' HB3' HH21 ' A' ' 104' ' ' ARG . 23.2 mm100 -61.07 -36.89 80.83 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.654 ' N ' ' HE ' ' A' ' 104' ' ' ARG . 2.7 mmp_? -59.91 -43.07 95.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.142 -0.974 . . . . 0.0 109.199 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -60.6 -41.71 95.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.942 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.98 -49.12 78.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 109.171 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.85 95.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.96 -1.088 . . . . 0.0 108.95 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.66 -40.15 90.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.909 . . . . 0.0 109.963 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.06 -39.92 96.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 111.09 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.479 ' CE3' ' CE ' ' A' ' 148' ' ' LYS . 66.4 m95 -80.79 -9.95 59.77 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.15 -0.969 . . . . 0.0 111.434 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 13.5 tp -72.51 -46.25 9.96 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.415 -1.428 . . . . 0.0 112.232 -178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 33.7 Cg_endo -62.72 -25.13 74.89 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 CA-C-N 120.864 1.344 . . . . 0.0 112.72 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.6 -40.05 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.826 -1.171 . . . . 0.0 110.831 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 110' ' ' TRP . 40.9 t -68.87 -47.77 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.061 . . . . 0.0 109.58 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -68.9 -39.92 79.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.882 -1.136 . . . . 0.0 109.737 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.39 95.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.6 91.39 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.528 -0.733 . . . . 0.0 109.208 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.91 -45.83 91.3 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.36 -0.837 . . . . 0.0 109.403 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.7 mt-10 -62.36 -39.97 94.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.7 mtt -70.11 -39.99 75.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.912 . . . . 0.0 110.955 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.89 -39.97 96.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.27 -0.894 . . . . 0.0 110.911 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 44.3 p30 -65.65 -19.72 66.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 110.142 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.548 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 24.8 tt0 -76.77 4.5 9.52 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.776 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 20.75 79.94 Favored Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.159 -0.963 . . . . 0.0 111.276 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -76.92 145.76 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.852 -1.381 . . . . 0.0 109.379 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -59.88 142.36 53.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 p -58.46 -44.87 89.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.99 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -59.98 -45.07 93.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.915 -1.116 . . . . 0.0 109.826 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.2 m -66.12 -44.44 84.24 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.788 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.89 66.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.64 -0.662 . . . . 0.0 110.314 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -66.1 -39.96 90.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.041 -1.037 . . . . 0.0 109.583 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.045 -1.035 . . . . 0.0 109.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.8 m -64.63 -42.42 95.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.035 -1.041 . . . . 0.0 110.07 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.69 -45.51 98.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.192 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.08 -28.64 68.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.209 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.27 -50.1 23.35 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -73.6 -41.76 62.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.004 -1.292 . . . . 0.0 109.076 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.3 m-85 -99.33 134.18 42.57 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.211 -0.931 . . . . 0.0 109.633 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -84.23 63.67 7.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.946 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.24 159.03 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.558 -0.714 . . . . 0.0 109.218 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 m -72.82 129.61 38.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.482 -0.761 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.41 -0.806 . . . . 0.0 109.698 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.5 m -60.73 -40.14 91.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.066 -1.021 . . . . 0.0 110.363 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 m -66.17 -44.56 83.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.104 -0.998 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -40.44 88.83 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.296 -0.878 . . . . 0.0 110.198 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -60.06 -47.32 86.37 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.743 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -60.05 -41.21 91.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.805 -1.184 . . . . 0.0 110.9 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.479 ' CE ' ' CE3' ' A' ' 110' ' ' TRP . 15.7 mtmm -69.92 -38.39 76.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 111.796 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -59.83 -41.63 91.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.788 -1.195 . . . . 0.0 110.651 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -71.35 -37.92 71.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.728 -1.233 . . . . 0.0 109.155 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -40.6 95.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.561 -0.712 . . . . 0.0 110.994 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -80.74 -12.0 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.315 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.67 -38.8 82.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.159 -0.963 . . . . 0.0 109.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -77.5 -9.22 58.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.002 -1.061 . . . . 0.0 109.907 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.48 152.63 22.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.136 -0.977 . . . . 0.0 110.269 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.91 139.13 57.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.547 -0.721 . . . . 0.0 109.512 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.3 ttpt -52.44 -46.63 94.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.321 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 37.3 Cg_exo -59.75 -36.85 90.31 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.175 1.917 . . . . 0.0 113.094 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.44 0.8 27.89 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.029 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -58.06 -39.89 79.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.964 -1.085 . . . . 0.0 109.184 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.96 73.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.925 -1.109 . . . . 0.0 109.581 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -75.92 -31.04 58.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.275 -0.891 . . . . 0.0 109.89 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.37 71.29 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.431 -0.793 . . . . 0.0 110.761 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.41 -9.33 58.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 110.95 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 162' ' ' ALA . 11.0 m . . . . . 0 N--CA 1.496 1.855 0 O-C-N 120.801 -1.187 . . . . 0.0 109.923 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.1 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.812 0.815 . . . . 0.0 108.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -68.18 -27.29 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 0.0 109.43 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -58.4 -40.0 81.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 118.627 -1.229 . . . . 0.0 107.796 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -63.14 -41.39 99.28 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.05 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -60.25 -46.21 90.59 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.92 . . . . 0.0 109.096 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.537 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -87.53 -5.51 58.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.733 . . . . 0.0 109.935 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.23 148.27 51.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 109.872 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 166.92 22.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.551 -0.718 . . . . 0.0 109.442 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -59.95 -39.38 85.4 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.467 -0.771 . . . . 0.0 111.709 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.158 -0.964 . . . . 0.0 110.778 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.561 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 23.0 mp0 -67.17 -40.24 86.58 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.841 -1.162 . . . . 0.0 110.005 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -66.4 -40.21 89.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 0.0 109.46 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.21 -40.66 82.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.098 -1.001 . . . . 0.0 109.23 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 tp -66.99 -50.41 62.33 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.05 -1.031 . . . . 0.0 109.602 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.82 92.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.057 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.62 -40.52 97.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.548 -0.72 . . . . 0.0 110.468 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.0 -38.97 83.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.43 -0.794 . . . . 0.0 110.251 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.401 ' O ' HG23 ' A' ' 114' ' ' VAL . 50.3 m95 -81.17 -9.2 59.83 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.284 -0.885 . . . . 0.0 111.743 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 15.4 tp -75.81 -46.53 4.0 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 120.359 -1.463 . . . . 0.0 111.879 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 51.1 Cg_endo -66.19 -24.29 51.6 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 CA-C-N 120.805 1.323 . . . . 0.0 111.648 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.1 59.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.03 -1.044 . . . . 0.0 110.018 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.1 -40.16 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.856 -1.153 . . . . 0.0 109.486 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.22 -40.57 86.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.577 -0.702 . . . . 0.0 110.479 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 120' ' ' MET . . . -61.79 -40.04 93.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.315 -0.865 . . . . 0.0 109.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.01 92.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.27 -40.26 85.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.02 -1.05 . . . . 0.0 110.128 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.481 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.8 mt-10 -61.61 -49.82 75.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.809 -1.182 . . . . 0.0 110.251 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -71.62 -40.38 69.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.791 -1.193 . . . . 0.0 111.84 -179.25 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.47 -39.79 95.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.778 -1.201 . . . . 0.0 111.821 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 49.5 p30 -69.93 -17.25 63.32 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.667 -1.271 . . . . 0.0 109.318 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.509 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 42.7 tp60 -80.92 -2.49 47.82 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.561 -0.712 . . . . 0.0 109.621 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.2 79.63 Favored Glycine 0 N--CA 1.493 2.471 0 O-C-N 120.737 -1.227 . . . . 0.0 110.857 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.62 151.38 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.954 -1.321 . . . . 0.0 108.512 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -49.77 134.79 20.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 109.404 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -59.29 -42.98 92.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -0.874 . . . . 0.0 109.945 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -59.97 -43.23 95.2 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.42 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m -69.41 -42.1 75.52 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.812 -1.18 . . . . 0.0 109.014 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.07 69.51 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.507 -0.745 . . . . 0.0 109.231 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.403 -0.81 . . . . 0.0 109.04 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.4 m -62.51 -41.47 98.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.92 -1.113 . . . . 0.0 109.198 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.16 -47.94 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.192 -0.942 . . . . 0.0 109.316 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -62.62 -36.43 82.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.583 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.8 -49.18 37.36 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -69.51 -40.72 76.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.891 -1.358 . . . . 0.0 109.734 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.503 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.2 m-85 -106.65 135.64 47.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.439 -0.788 . . . . 0.0 109.535 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.33 63.12 4.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.907 -1.121 . . . . 0.0 109.609 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.67 153.87 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.1 m -73.89 127.99 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.315 -0.865 . . . . 0.0 110.63 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.04 88.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.559 -0.713 . . . . 0.0 110.486 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 95.2 p -63.95 -40.84 97.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.95 -1.094 . . . . 0.0 110.402 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.4 m -67.69 -43.98 78.83 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.14 -0.975 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.06 -39.77 87.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.252 -0.905 . . . . 0.0 109.931 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -58.58 -48.61 80.38 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.151 -0.968 . . . . 0.0 109.626 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.32 -42.48 95.67 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.863 -1.148 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.34 -34.72 75.05 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.81 -1.181 . . . . 0.0 111.067 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -60.08 -48.88 79.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.293 -0.88 . . . . 0.0 110.368 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.48 -38.15 77.57 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.127 -0.983 . . . . 0.0 109.115 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -60.33 -39.83 88.48 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.21 -0.931 . . . . 0.0 111.665 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.2 -12.33 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 120.296 -1.502 . . . . 0.0 111.649 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.37 -32.01 69.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.113 -0.992 . . . . 0.0 109.567 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -79.24 -10.32 59.79 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.019 -1.051 . . . . 0.0 109.761 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -107.33 150.61 26.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.95 -1.094 . . . . 0.0 110.018 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 139.35 57.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.636 -0.665 . . . . 0.0 110.04 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 15.4 mtmm -52.59 -50.96 77.61 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.221 -0.924 . . . . 0.0 111.87 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -59.44 -22.97 68.51 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.407 1.404 . . . . 0.0 112.684 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -87.82 -1.2 57.82 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.759 -1.213 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.01 -40.28 88.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.232 -0.917 . . . . 0.0 109.84 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.49 93.13 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.984 -1.072 . . . . 0.0 110.634 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -31.58 59.43 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 109.554 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.71 85.39 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.092 -1.005 . . . . 0.0 109.649 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.68 -9.03 58.18 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.022 -1.049 . . . . 0.0 110.687 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 N--CA 1.494 1.729 0 O-C-N 120.808 -1.182 . . . . 0.0 109.261 179.183 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.8 tp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.42 -28.68 65.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 110.499 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.56 -40.04 86.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.705 -1.247 . . . . 0.0 107.839 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -60.63 -43.82 97.07 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.4 t-105 -62.01 -50.81 70.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.559 -0.713 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 56.5 t0 -56.64 -38.15 71.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.461 -0.775 . . . . 0.0 109.782 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -83.15 -4.26 58.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.201 -0.937 . . . . 0.0 109.409 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.54 156.42 38.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.309 -0.87 . . . . 0.0 109.734 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 t -75.1 162.8 28.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 109.742 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.6 -40.0 90.18 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -60.39 -37.68 81.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.302 -0.874 . . . . 0.0 110.084 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.15 -39.97 88.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.109 -0.994 . . . . 0.0 109.407 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -65.97 -41.8 90.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.965 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -61.83 -43.88 97.95 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 109.973 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.73 -50.12 75.07 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.02 97.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -40.1 87.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.439 0.637 . . . . 0.0 109.692 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.72 -40.43 95.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.341 -0.849 . . . . 0.0 110.636 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -82.72 -7.51 59.65 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.875 -1.141 . . . . 0.0 112.026 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 20.9 tp -73.19 -45.69 8.04 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.452 -1.405 . . . . 0.0 112.583 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -68.88 -24.7 33.61 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.299 1.333 . . . . 0.0 112.291 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.71 -44.39 33.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 108.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.33 -42.61 84.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.281 -0.887 . . . . 0.0 108.733 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.91 -40.52 83.4 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.64 95.33 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 47.6 t0 -59.85 -41.31 91.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.6 -40.11 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 109.258 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mmm -69.1 -40.34 78.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.47 -0.769 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.13 -40.15 90.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.164 -0.96 . . . . 0.0 109.137 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -61.04 -38.57 86.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.269 -0.895 . . . . 0.0 109.695 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.82 -3.52 16.02 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.342 -0.848 . . . . 0.0 108.822 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 69.63 31.96 70.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.0 mt -79.27 148.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.196 -1.179 . . . . 0.0 109.045 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -52.92 139.69 26.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.61 -1.306 . . . . 0.0 109.893 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 p -57.87 -43.5 86.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.666 -0.646 . . . . 0.0 110.006 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.0 -43.69 95.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.125 -0.984 . . . . 0.0 109.59 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.8 m -69.73 -41.53 75.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.383 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.18 70.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.857 -0.527 . . . . 0.0 110.163 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -69.7 -38.52 77.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.023 -1.048 . . . . 0.0 109.705 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.39 98.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.923 -1.11 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.9 m -63.64 -44.44 93.84 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.69 -1.256 . . . . 0.0 108.903 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 145' ' ' LEU . 55.4 t -60.67 -46.46 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.431 -0.793 . . . . 0.0 109.216 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.21 -35.78 76.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.426 -0.796 . . . . 0.0 109.776 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.56 -50.04 27.76 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -69.57 -42.12 74.93 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.188 -1.184 . . . . 0.0 109.598 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.0 m-85 -103.23 138.21 40.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.84 . . . . 0.0 110.755 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -84.51 61.18 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.975 -1.078 . . . . 0.0 109.299 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.9 158.7 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.723 . . . . 0.0 109.99 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.0 m -75.26 131.87 40.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.702 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.56 90.02 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.08 -1.013 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.2 p -63.71 -40.02 95.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 110.409 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.5 m -65.02 -47.03 78.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.992 . . . . 0.0 110.282 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 134' ' ' VAL . 38.2 tp -58.59 -39.81 81.42 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.734 -0.603 . . . . 0.0 109.616 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -59.12 -47.97 83.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 109.947 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -60.41 -41.54 94.11 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.969 -1.082 . . . . 0.0 110.037 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.97 -34.23 74.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.1 -46.8 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.81 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -66.7 -30.93 71.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.053 -1.03 . . . . 0.0 109.287 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.92 -40.19 88.04 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.077 -1.014 . . . . 0.0 111.393 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.17 -12.72 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 111.369 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.72 -38.1 80.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.7 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -74.33 -8.85 57.65 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.505 -0.747 . . . . 0.0 109.695 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.68 141.61 45.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.527 -0.733 . . . . 0.0 109.665 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.469 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.64 146.04 50.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.612 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 6.7 mtmt -50.47 -50.02 74.19 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 120.707 -1.245 . . . . 0.0 110.97 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 71.8 Cg_exo -49.68 -41.77 44.85 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.248 1.965 . . . . 0.0 113.877 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 p-10 -89.1 5.54 44.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.646 -1.284 . . . . 0.0 111.021 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.44 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -56.36 -40.08 73.93 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.812 -1.18 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.19 80.45 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.85 -1.156 . . . . 0.0 109.979 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -79.13 -22.84 44.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.998 -1.064 . . . . 0.0 110.2 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.53 79.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.03 -1.044 . . . . 0.0 111.239 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.13 1.98 8.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.376 -0.827 . . . . 0.0 111.206 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 162' ' ' ALA . 32.0 m . . . . . 0 N--CA 1.492 1.638 0 O-C-N 120.517 -1.364 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.617 0.722 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -67.99 -28.92 67.85 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.87 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.1 t -60.47 -40.23 90.51 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.137 -1.602 . . . . 0.0 108.475 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.47 -43.18 97.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.89 -40.15 87.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.515 -0.741 . . . . 0.0 110.07 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -87.72 -1.04 57.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.093 -1.004 . . . . 0.0 109.66 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.6 46.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.166 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -70.25 159.14 34.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.751 . . . . 0.0 109.949 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 102' ' ' SER . 35.1 p-10 -59.89 -39.12 84.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.733 -0.604 . . . . 0.0 109.923 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 55.4 m -60.13 -40.21 88.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.65 -1.281 . . . . 0.0 110.059 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -65.09 -40.8 95.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 109.814 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 85.1 mtm180 -69.65 -40.26 76.59 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.328 -0.857 . . . . 0.0 109.762 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.475 ' HG2' HH11 ' A' ' 105' ' ' ARG . 15.2 ttt-85 -62.5 -41.46 98.85 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.343 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.56 -46.85 88.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.384 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.666 -1.271 . . . . 0.0 108.57 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.9 -38.04 81.12 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.18 -38.39 85.31 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.222 -0.924 . . . . 0.0 110.512 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -87.07 -8.15 57.36 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 18.6 tp -74.87 -36.97 2.51 Favored Pre-proline 0 N--CA 1.509 2.479 0 O-C-N 119.474 -2.016 . . . . 0.0 111.84 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 20.2 Cg_exo -64.95 -33.3 52.31 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.677 2.252 . . . . 0.0 111.592 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.02 52.49 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.288 -0.882 . . . . 0.0 110.256 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 t -70.15 -41.03 78.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.719 -1.238 . . . . 0.0 109.12 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.56 -41.92 92.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.267 -0.895 . . . . 0.0 109.843 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.5 92.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.538 -0.726 . . . . 0.0 109.775 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.24 91.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.473 -0.767 . . . . 0.0 110.439 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 122' ' ' ASN . 39.2 t0 -59.77 -40.2 87.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.768 -1.207 . . . . 0.0 108.895 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.63 -40.37 95.33 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.196 -0.94 . . . . 0.0 110.582 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.9 mmt -72.68 -40.12 66.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.117 -0.99 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.21 -40.04 96.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.319 -0.863 . . . . 0.0 110.085 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.408 ' OD1' ' OD1' ' A' ' 118' ' ' ASP . 17.3 m120 -65.19 -26.26 68.07 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.07 -1.019 . . . . 0.0 109.544 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -77.82 -0.3 26.69 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.5 28.3 65.88 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.51 141.66 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.81 -1.406 . . . . 0.0 108.922 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 p -53.01 138.91 29.38 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.92 0.867 . . . . 0.0 109.505 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.3 p -59.62 -41.31 90.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.248 -0.907 . . . . 0.0 110.616 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.11 -46.19 88.97 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.112 -0.992 . . . . 0.0 109.467 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.3 m -69.15 -40.99 77.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.48 69.35 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.297 -0.877 . . . . 0.0 110.518 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.84 -39.5 79.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.685 -1.259 . . . . 0.0 108.773 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.6 73.08 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.862 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -40.05 88.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.81 -1.181 . . . . 0.0 109.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.34 -42.5 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.2 -31.92 73.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.11 -0.994 . . . . 0.0 109.35 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.07 13.51 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -66.16 -42.22 89.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.4 m-85 -104.7 127.16 52.39 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.569 0.7 . . . . 0.0 109.815 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 70.75 7.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.808 -1.183 . . . . 0.0 109.475 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.51 158.16 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.5 m -68.74 127.3 32.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.247 -0.908 . . . . 0.0 108.754 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.06 87.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.527 -0.733 . . . . 0.0 109.322 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.5 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.968 -0.457 . . . . 0.0 110.84 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 79.3 m -64.07 -49.79 70.9 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.204 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.84 -40.43 88.47 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.354 -0.841 . . . . 0.0 109.709 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -60.27 -49.98 75.46 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.18 -40.77 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.728 -1.232 . . . . 0.0 109.552 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.45 -37.96 88.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.369 -0.832 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.74 -47.62 84.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.017 -1.052 . . . . 0.0 110.693 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -66.55 -38.98 88.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.17 -0.956 . . . . 0.0 110.03 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.59 -40.99 93.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.906 -1.121 . . . . 0.0 111.434 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.35 -13.1 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.269 -0.894 . . . . 0.0 111.015 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -58.53 -38.72 78.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.829 -1.169 . . . . 0.0 108.479 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -74.91 -6.4 49.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.625 -0.672 . . . . 0.0 109.746 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -109.09 149.27 29.55 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.62 139.4 57.23 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 88.0 mttt -57.24 -40.2 82.98 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.064 -1.022 . . . . 0.0 111.674 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.0 Cg_exo -62.61 -28.47 77.07 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 121.722 1.615 . . . . 0.0 112.177 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -87.27 -2.28 58.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.297 -0.877 . . . . 0.0 109.3 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -60.13 -39.85 87.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.995 . . . . 0.0 109.762 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.04 90.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.919 -1.113 . . . . 0.0 109.016 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -80.69 -24.05 39.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.935 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.38 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.924 -1.11 . . . . 0.0 110.715 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.01 -19.1 61.91 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.14 -0.975 . . . . 0.0 111.632 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 162' ' ' ALA . 1.8 p . . . . . 0 N--CA 1.496 1.84 0 O-C-N 120.553 -1.342 . . . . 0.0 109.476 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -67.22 -31.33 71.63 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.8 t -60.34 -41.07 92.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.444 -1.41 . . . . 0.0 108.34 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -60.35 -40.3 90.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.191 -0.943 . . . . 0.0 108.988 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.401 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 12.1 t-105 -61.36 -54.18 47.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.88 87.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.392 -0.817 . . . . 0.0 108.937 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.72 -1.29 50.95 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.408 -0.807 . . . . 0.0 109.499 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.87 42.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.089 -1.007 . . . . 0.0 109.73 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.6 m -74.2 164.85 26.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.168 -0.958 . . . . 0.0 110.024 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.08 -40.67 90.34 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.357 -0.839 . . . . 0.0 110.208 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.3 m -60.17 -39.99 88.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 109.208 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.17 -39.92 94.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.259 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 104' ' ' ARG . 0.1 OUTLIER -63.79 -43.83 95.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.571 -0.706 . . . . 0.0 109.143 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -64.91 -40.23 94.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.08 -50.69 72.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.976 -1.078 . . . . 0.0 109.208 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.941 -1.1 . . . . 0.0 108.701 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.27 -38.39 89.11 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.375 -0.828 . . . . 0.0 109.125 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.9 -39.84 94.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 111.826 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -88.91 -4.39 58.47 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.134 -0.979 . . . . 0.0 113.388 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 17.4 tp -77.92 -36.08 1.32 Allowed Pre-proline 0 N--CA 1.509 2.506 0 O-C-N 119.642 -1.911 . . . . 0.0 112.351 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 22.8 Cg_exo -64.08 -35.81 51.57 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.67 2.247 . . . . 0.0 112.107 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.76 -41.54 44.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.681 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.9 -45.68 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.725 -1.235 . . . . 0.0 109.114 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -62.21 -45.24 94.23 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 109.39 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.35 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.498 -0.751 . . . . 0.0 108.981 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.41 84.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.561 -0.712 . . . . 0.0 109.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 30.9 t0 -57.9 -46.72 84.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.609 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 48.9 mt-10 -63.0 -40.02 96.52 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.037 -1.039 . . . . 0.0 109.902 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.6 mtp -70.08 -40.14 75.18 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.44 -40.04 94.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 46.6 p30 -65.44 -15.96 63.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.597 -1.315 . . . . 0.0 110.5 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.423 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 56.9 tt0 -80.07 -4.23 51.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.014 -1.054 . . . . 0.0 109.363 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.09 25.21 64.59 Favored Glycine 0 N--CA 1.496 2.662 0 O-C-N 120.943 -1.098 . . . . 0.0 110.944 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.31 146.27 8.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.78 -1.424 . . . . 0.0 108.977 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -54.48 140.12 35.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.77 -1.206 . . . . 0.0 109.906 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -59.0 -42.43 90.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.493 -0.754 . . . . 0.0 109.911 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.189 -0.944 . . . . 0.0 110.027 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.9 m -67.47 -44.05 79.53 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.069 -1.02 . . . . 0.0 109.168 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.0 75.34 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.064 -1.022 . . . . 0.0 110.655 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.9 -39.44 83.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.45 -1.406 . . . . 0.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.42 86.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.093 -1.005 . . . . 0.0 109.285 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 99.1 m -61.34 -47.02 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.955 . . . . 0.0 110.187 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.88 -47.22 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.112 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.25 -28.15 69.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.839 -1.163 . . . . 0.0 109.018 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.9 -49.61 22.08 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 119.055 -1.545 . . . . 0.0 109.454 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -71.95 -39.98 68.99 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.981 -1.305 . . . . 0.0 109.026 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.7 m-85 -99.1 135.57 40.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -82.8 67.03 8.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.457 -0.777 . . . . 0.0 109.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.65 158.05 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.752 . . . . 0.0 109.089 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 t -72.45 130.33 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.489 -0.757 . . . . 0.0 109.75 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.27 87.84 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.431 -0.793 . . . . 0.0 109.726 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 70.4 p -65.32 -39.92 93.05 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.2 -0.938 . . . . 0.0 110.336 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 61.9 m -63.21 -50.08 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.827 -1.171 . . . . 0.0 108.825 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.94 -40.49 89.14 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.452 -0.78 . . . . 0.0 109.348 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -60.36 -49.68 76.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 110.023 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -40.47 90.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.907 -1.121 . . . . 0.0 110.363 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -68.35 -37.2 80.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.272 -0.893 . . . . 0.0 111.487 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.72 -48.76 80.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.71 -1.244 . . . . 0.0 109.914 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -69.87 -33.39 72.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.251 -0.906 . . . . 0.0 109.775 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -60.07 -41.97 93.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.771 -1.206 . . . . 0.0 111.06 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.21 -10.03 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.768 -1.208 . . . . 0.0 111.511 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.62 -40.12 74.81 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -76.43 -7.02 54.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.085 -1.009 . . . . 0.0 109.583 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -106.9 148.73 28.24 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.401 -0.812 . . . . 0.0 110.023 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.536 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -70.92 150.21 45.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.404 -0.81 . . . . 0.0 110.226 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 43.2 mttm -52.04 -53.29 53.5 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.589 -0.694 . . . . 0.0 110.806 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 18.1 Cg_endo -58.64 -28.38 86.02 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.091 1.194 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 48.3 t0 -82.43 -19.06 39.74 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.763 -0.586 . . . . 0.0 109.826 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.536 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 44.7 m0 -54.14 -38.4 65.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.734 -1.229 . . . . 0.0 109.785 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.68 82.1 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.791 -1.193 . . . . 0.0 108.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.698 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -77.68 -38.39 47.59 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.445 -0.785 . . . . 0.0 109.566 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.27 81.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.039 -1.038 . . . . 0.0 111.056 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.64 -15.93 63.68 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.985 . . . . 0.0 111.27 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 162' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.495 1.81 0 O-C-N 120.746 -1.221 . . . . 0.0 109.393 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.498 0.666 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -69.82 -33.82 72.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.717 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.5 m -60.05 -40.29 88.9 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.119 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.44 -39.52 87.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.238 -0.914 . . . . 0.0 109.546 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -59.25 -44.24 92.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 108.965 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.47 -39.65 76.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.398 -0.814 . . . . 0.0 109.634 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -88.88 -2.98 58.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.127 -0.983 . . . . 0.0 110.016 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.85 160.81 27.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.089 -1.007 . . . . 0.0 108.995 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -70.0 151.93 45.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.149 -0.969 . . . . 0.0 109.278 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.452 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 7.9 t70 -60.05 -41.76 93.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 110.048 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -60.01 -39.98 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.012 -1.055 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.28 -39.96 88.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.058 -1.027 . . . . 0.0 110.211 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.5 mtm180 -68.2 -40.08 82.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.176 . . . . 0.0 109.438 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -66.53 -39.88 88.85 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.094 -1.004 . . . . 0.0 109.192 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.13 -46.49 88.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.934 -1.104 . . . . 0.0 108.06 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.15 93.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.989 -1.069 . . . . 0.0 109.147 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.38 -40.07 92.97 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.82 -40.99 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.488 -0.757 . . . . 0.0 110.898 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.474 ' O ' HG23 ' A' ' 114' ' ' VAL . 71.5 m95 -82.25 -5.37 58.48 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.894 -1.129 . . . . 0.0 110.345 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 7.3 tp -73.38 -47.12 7.65 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 120.679 -1.263 . . . . 0.0 112.455 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 42.3 Cg_endo -64.03 -20.47 67.73 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 120.856 1.341 . . . . 0.0 111.598 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.19 18.1 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.028 -1.045 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 110' ' ' TRP . 45.6 t -69.19 -42.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.142 -0.974 . . . . 0.0 110.676 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.79 -38.46 89.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.904 -1.122 . . . . 0.0 110.626 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.42 94.68 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.906 -1.121 . . . . 0.0 109.687 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.08 88.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 110.045 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.93 -40.56 89.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.914 -1.116 . . . . 0.0 109.257 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 76.5 tt0 -60.61 -43.37 97.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 108.72 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.4 mmm -70.66 -40.49 72.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.61 -0.681 . . . . 0.0 110.807 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.0 mt -68.19 -38.45 82.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.987 -1.071 . . . . 0.0 110.882 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 122' ' ' ASN . 42.6 p30 -68.97 -13.5 62.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.81 -1.181 . . . . 0.0 109.821 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.415 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 53.0 tt0 -93.33 7.37 44.7 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.83 28.39 60.97 Favored Glycine 0 N--CA 1.491 2.307 0 O-C-N 121.391 -0.818 . . . . 0.0 111.968 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.9 mm -80.48 140.07 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.92 -1.341 . . . . 0.0 108.48 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -55.62 138.53 46.86 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 108.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -56.17 -42.93 77.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -0.867 . . . . 0.0 109.738 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.07 -1.019 . . . . 0.0 108.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.7 m -66.14 -41.1 90.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.275 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.23 60.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.301 -0.874 . . . . 0.0 110.223 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -68.66 -39.48 80.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 109.419 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.31 93.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.832 -1.168 . . . . 0.0 109.021 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 96.2 m -61.62 -44.83 96.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.551 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.57 -45.47 78.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.654 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.67 -29.38 70.38 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.32 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.73 -48.6 21.45 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -70.08 -40.57 74.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -1.175 . . . . 0.0 109.296 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.492 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.8 m-85 -99.32 139.4 35.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.189 -0.945 . . . . 0.0 108.946 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -83.58 62.81 7.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.705 -1.247 . . . . 0.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.97 147.06 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.437 ' OG ' ' OG1' ' A' ' 144' ' ' THR . 64.3 p -70.15 137.65 51.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.471 -0.768 . . . . 0.0 109.977 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.11 92.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.987 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.1 p -61.45 -40.11 93.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.163 -0.961 . . . . 0.0 110.093 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.437 ' OG1' ' OG ' ' A' ' 141' ' ' SER . 98.8 m -66.61 -51.4 56.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.352 -0.843 . . . . 0.0 109.866 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.59 -42.19 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.692 0.758 . . . . 0.0 109.197 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -60.08 -49.81 76.19 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.536 -0.728 . . . . 0.0 110.239 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -62.17 -41.47 98.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.124 -0.985 . . . . 0.0 110.676 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -68.47 -38.38 81.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.555 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -59.16 -44.08 92.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.335 -0.853 . . . . 0.0 110.397 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.71 -39.34 76.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.407 -1.433 . . . . 0.0 109.22 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.05 -40.75 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.533 -0.729 . . . . 0.0 111.565 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.62 -13.34 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.622 -1.299 . . . . 0.0 110.556 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -58.73 -39.02 79.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.107 -0.996 . . . . 0.0 108.841 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.15 -9.53 58.7 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.27 -0.894 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.86 149.44 26.53 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.303 -0.873 . . . . 0.0 110.051 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.42 149.39 50.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.574 . . . . 0.0 109.64 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 28.5 mmtm -49.61 -50.02 69.0 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.288 -0.883 . . . . 0.0 111.269 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 42.2 Cg_endo -63.84 -24.08 68.34 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 CA-C-N 120.967 1.381 . . . . 0.0 112.044 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -81.59 -8.21 59.69 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -59.88 -40.1 87.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.951 -1.093 . . . . 0.0 109.896 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.49 90.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.098 -1.001 . . . . 0.0 109.784 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.91 61.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.429 -0.794 . . . . 0.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.47 79.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.145 -0.972 . . . . 0.0 111.131 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.09 -4.45 35.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.964 -1.085 . . . . 0.0 111.04 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.489 1.486 0 O-C-N 120.615 -1.303 . . . . 0.0 109.884 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.547 0.689 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -69.33 -39.79 77.99 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 m -59.71 -40.32 87.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.834 -1.166 . . . . 0.0 110.124 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -60.48 -40.68 92.17 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.466 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -61.47 -47.39 85.9 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.802 -1.186 . . . . 0.0 108.211 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 50.4 t0 -57.08 -36.88 71.11 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.577 -0.702 . . . . 0.0 109.459 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.55 -7.14 59.65 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.183 -0.948 . . . . 0.0 109.662 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.05 151.56 44.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -71.66 154.4 41.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.45 -0.781 . . . . 0.0 110.439 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.22 -40.4 90.04 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 110.177 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -60.08 -40.42 89.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.138 -0.976 . . . . 0.0 109.985 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.2 -40.16 95.49 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.557 -1.339 . . . . 0.0 108.923 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.0 mtt180 -64.28 -40.01 95.11 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.606 -0.683 . . . . 0.0 109.763 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.504 ' HG2' HH11 ' A' ' 105' ' ' ARG . 4.0 mmt-85 -60.25 -41.7 93.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.999 -1.063 . . . . 0.0 109.933 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.84 -46.9 88.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.273 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.64 94.73 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.26 -0.9 . . . . 0.0 109.923 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.04 -39.38 85.72 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.534 -0.729 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.71 -39.9 94.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.851 -1.156 . . . . 0.0 110.611 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.445 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 75.4 m95 -81.9 -9.66 59.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.403 -0.811 . . . . 0.0 111.795 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 18.1 tp -74.59 -45.76 5.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.398 -1.439 . . . . 0.0 112.323 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 61.3 Cg_endo -67.78 -24.42 40.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.992 1.39 . . . . 0.0 112.146 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.73 59.36 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.71 -1.244 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.88 -40.65 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.995 -1.065 . . . . 0.0 108.966 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.9 mm-40 -66.25 -40.15 89.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.551 -0.718 . . . . 0.0 110.362 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.24 73.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.261 -0.899 . . . . 0.0 110.136 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.22 91.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 109.274 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -59.41 -41.44 89.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.323 -0.861 . . . . 0.0 109.121 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.13 -42.07 94.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 109.693 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.78 -39.12 84.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.269 -0.894 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.01 -29.87 69.82 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.471 -0.768 . . . . 0.0 109.251 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.62 -38.76 85.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.595 -0.69 . . . . 0.0 109.241 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -72.6 0.06 11.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.0 62.64 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.71 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.84 142.88 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.316 . . . . 0.0 108.643 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.0 p -51.49 139.93 18.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.991 -1.068 . . . . 0.0 110.214 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 p -58.68 -42.65 88.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.834 -0.541 . . . . 0.0 110.574 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.06 -45.03 91.83 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.911 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -68.3 -43.38 77.79 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 109.977 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 134' ' ' VAL . . . -60.0 -49.82 76.15 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.04 -39.47 75.72 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.635 -1.291 . . . . 0.0 109.808 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.47 81.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.048 -1.033 . . . . 0.0 109.779 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.9 m -63.65 -44.24 94.4 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.2 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 130' ' ' ALA . 54.3 t -60.48 -45.4 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.391 -0.818 . . . . 0.0 109.485 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.05 -29.31 69.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.144 -0.973 . . . . 0.0 109.247 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.22 -50.25 17.75 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.86 -41.74 78.03 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.854 -1.38 . . . . 0.0 109.494 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -102.0 136.05 42.51 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.519 -0.738 . . . . 0.0 109.266 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -82.26 63.93 6.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.53 -0.731 . . . . 0.0 109.563 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.5 m -130.36 158.4 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.0 m -74.96 130.02 38.66 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.924 -1.11 . . . . 0.0 109.97 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.1 m -62.26 -39.93 94.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 109.948 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.2 m -64.72 -49.34 71.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.076 -1.015 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.51 -43.84 97.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.056 -1.027 . . . . 0.0 110.006 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -60.27 -46.09 91.04 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.23 -0.919 . . . . 0.0 110.566 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.25 -46.9 88.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 0.0 110.641 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.445 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 45.2 mtmt -69.21 -30.45 68.63 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.827 -1.171 . . . . 0.0 110.74 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -59.94 -47.33 86.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.786 -1.196 . . . . 0.0 109.996 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.78 -35.22 76.78 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.774 -1.204 . . . . 0.0 109.673 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.08 -39.92 87.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 110.925 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 152' ' ' VAL . 29.2 m -81.76 -9.93 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.57 -1.331 . . . . 0.0 110.351 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -60.0 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.861 -1.149 . . . . 0.0 110.709 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.14 -4.27 52.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.567 -1.333 . . . . 0.0 109.464 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -103.92 145.73 29.7 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -60.37 140.12 57.32 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.132 -0.98 . . . . 0.0 109.54 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 9.8 mtpm? -52.03 -50.14 80.22 Favored Pre-proline 0 C--N 1.301 -1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 111.509 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 33.8 Cg_endo -61.61 -22.46 74.49 Favored 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.886 1.724 . . . . 0.0 113.374 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.585 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 9.4 p30 -89.98 0.04 57.32 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.967 -1.083 . . . . 0.0 109.649 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.474 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 31.1 m0 -57.57 -39.52 76.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.572 -0.705 . . . . 0.0 109.912 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -51.47 -47.08 63.28 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.681 -1.262 . . . . 0.0 109.392 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.11 62.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.985 -1.072 . . . . 0.0 109.616 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.01 84.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.96 -1.088 . . . . 0.0 109.916 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.42 -40.51 97.39 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 120.83 -1.169 . . . . 0.0 109.141 179.3 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.4 tp . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.24 -31.75 70.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -0.853 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.241 -1.537 . . . . 0.0 109.201 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.55 -40.02 95.5 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.1 t-105 -59.91 -45.68 91.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.209 -0.932 . . . . 0.0 109.045 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.403 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 39.3 t0 -58.62 -37.83 76.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.235 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.95 -5.93 59.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 109.636 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.93 150.53 48.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.286 -0.884 . . . . 0.0 109.658 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -74.43 161.63 29.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.112 -0.992 . . . . 0.0 108.926 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 102' ' ' SER . 36.8 p-10 -60.06 -38.69 83.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.103 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.561 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 65.1 m -60.06 -40.27 88.88 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.228 -0.92 . . . . 0.0 109.516 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.484 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -67.11 -39.87 86.77 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' A' ' 105' ' ' ARG . 41.0 ttt-85 -60.49 -47.12 87.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.676 -0.64 . . . . 0.0 110.153 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.04 -50.05 75.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.88 -1.138 . . . . 0.0 109.11 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.81 94.18 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.661 -1.274 . . . . 0.0 109.608 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.18 -40.0 92.28 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.607 -0.683 . . . . 0.0 110.154 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -65.81 -40.08 91.51 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 111.284 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.85 -10.57 59.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.958 -1.089 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 56.9 tp -72.85 -48.4 8.3 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 120.565 -1.334 . . . . 0.0 111.563 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 49.3 Cg_endo -64.79 -25.51 60.69 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.731 1.621 . . . . 0.0 112.041 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.48 62.6 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.968 -1.083 . . . . 0.0 109.257 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.95 -42.46 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.373 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -64.38 -41.04 96.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.885 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.7 83.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.133 -0.98 . . . . 0.0 109.496 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.43 90.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.242 -0.911 . . . . 0.0 109.497 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.35 -41.5 93.76 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.516 -0.74 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.48 -41.15 93.61 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.498 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.6 mmt -69.91 -40.24 75.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 109.306 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -40.15 96.71 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.929 -1.107 . . . . 0.0 109.161 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -63.68 -40.1 95.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.462 -0.774 . . . . 0.0 109.73 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.25 -3.4 29.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.67 36.39 33.37 Favored Glycine 0 N--CA 1.495 2.623 0 O-C-N 121.442 -0.786 . . . . 0.0 113.533 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 125' ' ' ILE . 1.9 mp -78.73 141.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.337 -1.684 . . . . 0.0 107.509 177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.7 m -49.26 140.02 10.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.057 -1.027 . . . . 0.0 109.268 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 -43.67 84.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.079 -1.013 . . . . 0.0 110.085 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -59.94 -42.76 94.72 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 109.223 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.095 -1.003 . . . . 0.0 110.63 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.23 74.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 111.318 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.88 -40.12 83.59 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 109.707 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.47 89.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.102 -0.999 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.8 m -60.01 -44.96 94.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.075 -1.016 . . . . 0.0 110.291 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 145' ' ' LEU . 54.7 t -61.16 -46.06 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.591 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.03 -29.34 69.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.688 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.45 -53.45 8.7 Favored Glycine 0 N--CA 1.482 1.734 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -70.52 -40.27 73.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -1.187 . . . . 0.0 109.805 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 135' ' ' ALA . 76.5 m-85 -97.99 135.12 40.14 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -88.07 61.32 6.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.929 -1.107 . . . . 0.0 108.922 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.79 159.95 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.595 -0.691 . . . . 0.0 109.388 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.0 m -71.76 128.97 37.49 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 109.179 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.79 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.452 -0.78 . . . . 0.0 109.687 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 93.1 p -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.089 -1.007 . . . . 0.0 110.301 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.4 m -63.45 -50.02 71.39 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.121 . . . . 0.0 110.228 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 134' ' ' VAL . 57.0 tp -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.494 -0.754 . . . . 0.0 109.536 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -59.12 -49.76 76.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.323 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.84 -42.42 97.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.143 -0.973 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -34.72 74.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 110.973 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -59.95 -49.6 77.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.041 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -62.74 -39.38 93.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.648 -1.283 . . . . 0.0 109.382 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.85 -39.73 86.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.616 -0.678 . . . . 0.0 111.919 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.2 -16.6 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.522 -1.361 . . . . 0.0 112.043 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.54 -38.5 77.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.546 -1.346 . . . . 0.0 109.526 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -73.32 -8.07 54.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.496 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -106.81 156.24 18.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.133 -0.98 . . . . 0.0 109.057 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -61.89 154.14 27.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.407 -0.808 . . . . 0.0 109.967 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 7.3 mtmp? -66.35 -40.02 31.46 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.675 -1.266 . . . . 0.0 112.104 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 93.7 Cg_endo -80.35 -23.14 6.41 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.813 1.675 . . . . 0.0 113.953 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 41.9 p-10 -84.88 1.92 44.94 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.752 -1.218 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.0 m0 -59.39 -40.07 85.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.436 -0.79 . . . . 0.0 108.976 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.6 87.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.667 -0.646 . . . . 0.0 110.702 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.49 -31.15 47.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.957 -1.089 . . . . 0.0 110.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.61 83.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.308 -0.87 . . . . 0.0 110.516 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.74 -29.47 66.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.91 -1.118 . . . . 0.0 109.959 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 165' ' ' VAL . 45.7 t . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.811 -1.181 . . . . 0.0 109.467 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 tp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.476 0.655 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -69.85 -29.47 66.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.483 -0.761 . . . . 0.0 109.607 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.84 -40.08 87.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.783 -1.198 . . . . 0.0 108.75 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -61.6 -40.39 94.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.636 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -61.33 -48.79 79.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.372 -0.83 . . . . 0.0 108.813 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -58.05 -35.9 72.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -0.817 . . . . 0.0 109.522 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.95 -6.19 58.42 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.324 -0.86 . . . . 0.0 108.847 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.47 150.82 44.52 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.396 0.617 . . . . 0.0 109.624 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -74.26 161.28 30.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.3 p-10 -59.57 -39.7 84.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.069 . . . . 0.0 109.581 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 85.6 p -60.44 -40.14 90.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.229 -0.919 . . . . 0.0 109.377 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -65.43 -41.49 93.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.492 -0.755 . . . . 0.0 109.889 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 86.0 mtm180 -66.58 -40.29 88.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.893 -1.129 . . . . 0.0 109.51 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.71 -40.1 96.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.399 -0.813 . . . . 0.0 109.369 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.14 -43.31 99.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.116 -0.99 . . . . 0.0 109.155 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.29 90.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.782 -1.199 . . . . 0.0 108.811 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.24 -40.07 96.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 110.447 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.68 -40.08 95.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.621 -0.675 . . . . 0.0 110.581 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.459 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.5 m95 -87.14 -6.91 58.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 110.923 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.6 tp -70.01 -43.46 19.57 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.295 -1.503 . . . . 0.0 111.765 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -71.46 -21.29 26.33 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 CA-C-N 120.749 1.303 . . . . 0.0 112.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.11 -42.03 33.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 0.0 109.431 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.9 t -67.85 -41.85 85.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.08 -40.43 94.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.224 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.05 95.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.077 -1.014 . . . . 0.0 109.91 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.68 88.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 57.6 t0 -59.88 -42.2 93.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.362 -0.836 . . . . 0.0 110.321 -178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 118.519 -1.272 . . . . 0.0 108.761 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.5 mtt -68.74 -41.75 78.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.715 -0.616 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.71 -39.94 95.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -61.74 -39.73 92.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.907 -1.12 . . . . 0.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -72.76 0.33 11.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 109.323 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.97 33.91 56.62 Favored Glycine 0 N--CA 1.492 2.412 0 O-C-N 120.768 -1.207 . . . . 0.0 110.996 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.65 140.23 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.5 m -59.96 141.12 56.14 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.997 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.7 p -53.91 -46.04 71.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.642 -1.286 . . . . 0.0 109.593 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.97 -49.69 75.93 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.976 -1.077 . . . . 0.0 109.276 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.8 m -68.26 -41.18 81.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.059 -1.026 . . . . 0.0 109.616 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.91 75.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 110.431 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -69.96 -39.85 75.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.535 -1.353 . . . . 0.0 109.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.1 90.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.841 -1.162 . . . . 0.0 108.823 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -48.85 79.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.19 -48.85 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.11 -30.91 70.65 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.806 -0.559 . . . . 0.0 109.577 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.03 25.5 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.97 -40.27 68.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.255 -1.144 . . . . 0.0 109.789 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.8 m-85 -100.83 137.0 39.8 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -85.36 67.68 10.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.972 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.72 156.37 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.282 -0.886 . . . . 0.0 109.779 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.7 t -72.6 132.02 43.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.48 93.31 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.013 -1.054 . . . . 0.0 109.967 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.8 t -63.6 -40.05 95.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 110.345 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 82.2 m -63.7 -50.72 68.07 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.691 -1.255 . . . . 0.0 109.485 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.56 -40.47 91.72 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.297 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -60.02 -48.51 81.43 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 0.0 110.069 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.06 -43.66 95.24 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.041 -1.037 . . . . 0.0 109.995 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.33 -40.02 85.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.589 -0.695 . . . . 0.0 110.473 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.127 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.36 -38.68 90.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.562 -1.336 . . . . 0.0 109.964 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.45 -38.82 81.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.57 -12.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.976 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.07 -39.71 82.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.823 -1.173 . . . . 0.0 109.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -72.86 -2.28 20.07 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.138 -0.977 . . . . 0.0 109.195 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.05 141.6 48.58 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -67.78 153.37 43.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.838 -1.164 . . . . 0.0 109.099 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 81.9 mttt -50.1 -51.35 62.99 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.018 -1.051 . . . . 0.0 112.419 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 5.5 Cg_endo -48.61 -40.97 38.05 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.641 1.56 . . . . 0.0 114.215 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 159' ' ' ASP . 6.7 p-10 -89.76 4.6 49.18 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.739 -1.225 . . . . 0.0 110.834 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.479 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.9 m0 -58.45 -39.92 81.22 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.854 -1.153 . . . . 0.0 108.923 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.78 68.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 109.329 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.58 64.03 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.213 -0.93 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.85 90.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.691 . . . . 0.0 110.212 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.23 -23.21 62.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 110.358 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.8 t . . . . . 0 N--CA 1.493 1.705 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.712 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.355 0.598 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -69.82 -30.71 68.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.223 -0.923 . . . . 0.0 111.62 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 61.0 m -60.23 -40.53 90.53 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.256 -1.527 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -61.13 -41.28 96.44 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.52 -46.31 90.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.548 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 59.0 t0 -56.72 -34.3 67.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.25 -0.906 . . . . 0.0 109.074 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.81 -0.58 51.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.859 -1.151 . . . . 0.0 109.574 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.66 152.56 44.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.445 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -72.83 158.95 34.56 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 102' ' ' SER . 39.3 p-10 -59.8 -40.21 87.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.723 -1.236 . . . . 0.0 109.876 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 71.6 m -60.46 -39.89 89.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.885 -1.134 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.66 -39.92 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.372 -0.83 . . . . 0.0 109.253 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.3 mtt180 -65.2 -40.86 94.75 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.835 -0.54 . . . . 0.0 110.082 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -62.09 -40.19 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.78 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.87 -49.07 79.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.724 -1.235 . . . . 0.0 108.877 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.39 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.306 -0.871 . . . . 0.0 109.514 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.65 -40.22 94.14 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.222 -0.924 . . . . 0.0 110.528 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.0 -40.47 96.42 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.078 -1.014 . . . . 0.0 110.486 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.484 ' O ' HG23 ' A' ' 114' ' ' VAL . 70.4 m95 -81.22 -9.73 59.73 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.265 -0.897 . . . . 0.0 111.471 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 17.9 tp -72.76 -45.57 9.15 Favored Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.445 -1.409 . . . . 0.0 112.262 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 47.1 Cg_endo -67.21 -26.78 41.87 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.858 1.342 . . . . 0.0 112.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.99 31.64 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.883 -1.136 . . . . 0.0 110.017 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 110' ' ' TRP . 38.6 t -70.03 -42.55 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.052 . . . . 0.0 108.406 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.09 -41.03 91.19 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.298 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.58 91.51 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.13 88.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.89 -1.131 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 58.9 t0 -59.09 -45.05 91.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.667 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.74 -40.14 88.22 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.153 -0.967 . . . . 0.0 109.102 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.29 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.398 -0.814 . . . . 0.0 109.368 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.18 -39.98 78.39 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.674 0.749 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.63 -37.17 80.59 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.456 -0.778 . . . . 0.0 110.062 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.99 -0.43 2.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.73 26.82 62.01 Favored Glycine 0 N--CA 1.497 2.766 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.817 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.66 139.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.961 -1.317 . . . . 0.0 108.957 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -55.64 141.16 38.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.213 -0.93 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.4 p -56.81 -48.71 77.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.993 -1.067 . . . . 0.0 110.381 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.14 -41.2 92.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.898 -1.126 . . . . 0.0 108.959 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.9 m -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.023 -1.048 . . . . 0.0 108.216 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.9 70.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.637 -0.664 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -69.93 -39.77 75.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.127 -0.983 . . . . 0.0 109.927 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.59 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.992 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.4 m -60.11 -43.98 95.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.639 -0.663 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.35 -47.37 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 109.822 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.98 68.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.92 -1.112 . . . . 0.0 109.276 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.7 -47.6 47.74 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -78.15 -41.33 35.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.125 -1.221 . . . . 0.0 108.921 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -96.68 131.62 43.17 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.54 -0.725 . . . . 0.0 110.067 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -85.07 62.28 7.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.161 -0.962 . . . . 0.0 110.16 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.3 160.22 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 71.2 m -72.11 134.61 45.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.463 -0.773 . . . . 0.0 109.112 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.51 91.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.071 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.5 t -64.13 -40.14 95.53 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.453 -0.779 . . . . 0.0 110.943 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.0 m -61.55 -50.0 74.44 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.624 -1.298 . . . . 0.0 110.875 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.5 -40.84 92.85 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.85 -1.156 . . . . 0.0 109.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.925 -0.484 . . . . 0.0 110.459 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.95 -40.31 95.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.825 -1.172 . . . . 0.0 109.898 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.37 -38.6 81.54 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -59.7 -46.6 88.6 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.176 -0.952 . . . . 0.0 110.471 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -67.73 -39.56 84.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.913 -1.117 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.94 -39.92 87.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.81 -4.85 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.084 -1.01 . . . . 0.0 109.985 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.88 -39.85 82.64 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 154' ' ' LYS . 2.9 mppt? -77.83 -4.83 48.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 110.561 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . 0.454 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 86.1 m-85 -109.87 141.14 42.98 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -53.23 148.76 8.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.351 -0.843 . . . . 0.0 109.182 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 37.2 mttp -59.42 -42.63 93.44 Favored Pre-proline 0 C--N 1.304 -1.398 0 O-C-N 121.552 -0.717 . . . . 0.0 112.605 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 55.6 Cg_endo -68.32 -32.48 26.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.777 1.313 . . . . 0.0 113.897 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 5.8 p-10 -83.78 1.81 41.11 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.719 -1.238 . . . . 0.0 109.787 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 m0 -58.63 -39.21 79.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.207 -0.933 . . . . 0.0 109.121 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.4 71.59 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.499 -0.75 . . . . 0.0 109.594 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.21 -32.44 66.76 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.616 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.2 68.62 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.901 -1.124 . . . . 0.0 109.739 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.3 -37.22 77.7 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.086 -1.009 . . . . 0.0 111.299 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 165' ' ' VAL . 2.4 m . . . . . 0 N--CA 1.492 1.642 0 O-C-N 119.956 -1.715 . . . . 0.0 110.534 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 121.266 0.555 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -67.24 -27.68 67.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.573 -1.329 . . . . 0.0 111.821 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -59.82 -39.95 86.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.313 -1.492 . . . . 0.0 108.473 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.23 -42.59 95.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 108.333 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -62.47 -47.7 82.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.542 -0.724 . . . . 0.0 110.372 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.82 -36.85 70.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.086 -1.009 . . . . 0.0 109.698 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -81.54 -6.0 58.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.142 -0.974 . . . . 0.0 109.633 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.414 ' C ' HH12 ' A' ' 104' ' ' ARG . . . -67.15 152.14 46.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.002 -1.061 . . . . 0.0 108.898 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -75.04 162.39 28.61 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.958 -1.089 . . . . 0.0 109.128 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.73 -39.76 85.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.006 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.4 p -59.96 -39.93 87.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 110.205 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.14 -40.07 95.36 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.091 -1.006 . . . . 0.0 110.521 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.414 HH12 ' C ' ' A' ' 99' ' ' ALA . 46.0 mtm-85 -65.45 -40.0 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.739 -1.226 . . . . 0.0 109.628 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 105' ' ' ARG . 0.2 OUTLIER -59.99 -43.79 94.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.262 -0.899 . . . . 0.0 109.101 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.19 -48.67 80.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.508 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.51 86.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.102 . . . . 0.0 108.892 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.89 -38.33 81.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.433 -0.792 . . . . 0.0 109.459 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.59 -39.99 94.73 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.25 -0.906 . . . . 0.0 111.044 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.52 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 m95 -82.7 -6.24 59.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.147 -0.971 . . . . 0.0 111.714 -177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 4.4 tp -77.16 -46.69 2.71 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 120.006 -1.684 . . . . 0.0 111.314 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.8 Cg_endo -67.12 -26.66 42.6 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.197 1.265 . . . . 0.0 112.497 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.12 -39.99 62.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.033 -1.042 . . . . 0.0 109.405 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.3 t -69.16 -45.09 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.68 -40.21 96.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.927 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.23 84.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.061 -1.024 . . . . 0.0 108.618 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.44 91.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.431 -0.793 . . . . 0.0 110.195 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.9 -42.54 94.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.875 -1.14 . . . . 0.0 109.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.76 -40.32 92.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.358 -0.839 . . . . 0.0 108.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.49 -40.05 95.43 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.586 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.01 -40.0 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.07 -40.18 88.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.035 -1.041 . . . . 0.0 109.087 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -70.2 -6.91 37.82 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.93 30.31 68.13 Favored Glycine 0 N--CA 1.496 2.699 0 O-C-N 121.112 -0.992 . . . . 0.0 111.095 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.46 146.42 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.865 -1.374 . . . . 0.0 109.126 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.2 t -49.87 137.99 15.72 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.937 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.4 p -59.17 -45.58 90.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 109.757 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -56.29 -48.81 75.9 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 108.812 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.2 m -68.17 -41.12 81.97 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.329 -0.857 . . . . 0.0 110.514 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.0 75.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.856 -1.152 . . . . 0.0 110.447 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.517 ' CE2' ' NH1' ' A' ' 146' ' ' ARG . 54.7 m-85 -67.61 -39.95 84.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.007 -1.058 . . . . 0.0 110.228 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.24 93.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -0.944 . . . . 0.0 109.548 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.9 m -61.15 -40.54 94.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.072 -1.017 . . . . 0.0 109.47 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.94 -42.29 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 0.0 108.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.23 -36.68 84.86 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.4 -0.813 . . . . 0.0 109.254 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.37 79.89 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.47 -44.52 35.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.409 -1.054 . . . . 0.0 109.75 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 135' ' ' ALA . 89.7 m-85 -97.2 139.17 33.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.243 -0.911 . . . . 0.0 109.571 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -82.93 61.02 5.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.409 -0.807 . . . . 0.0 108.902 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 159.53 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.547 -0.721 . . . . 0.0 109.624 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 p -78.81 132.16 36.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 108.578 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.09 94.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.747 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 57.9 m -61.59 -40.95 96.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.185 -0.947 . . . . 0.0 110.565 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.8 m -65.38 -45.74 82.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.964 -1.085 . . . . 0.0 109.563 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.468 HD11 HG22 ' A' ' 114' ' ' VAL . 59.6 tp -59.98 -38.64 83.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 109.411 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.517 ' NH1' ' CE2' ' A' ' 131' ' ' PHE . 26.5 ttm-85 -59.23 -50.03 75.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.03 -1.044 . . . . 0.0 110.026 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.98 -40.72 96.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.311 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -39.64 86.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.511 -0.743 . . . . 0.0 111.623 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -59.86 -46.32 89.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.75 -1.219 . . . . 0.0 110.17 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.43 -37.44 83.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.753 -1.217 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.18 -39.95 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 111.117 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.83 -10.03 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.924 -1.11 . . . . 0.0 109.698 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.9 -38.66 79.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.273 -0.892 . . . . 0.0 109.085 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.42 -9.89 59.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.338 -0.851 . . . . 0.0 110.71 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.85 145.96 29.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.916 -1.115 . . . . 0.0 110.08 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.16 41.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.739 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 90.3 mttt -49.53 -52.57 48.97 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 121.516 -0.74 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 29.7 Cg_endo -60.04 -26.16 81.67 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.413 1.409 . . . . 0.0 112.298 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -87.02 -3.21 59.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.092 -1.005 . . . . 0.0 110.477 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.055 -1.028 . . . . 0.0 109.647 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.888 -1.133 . . . . 0.0 108.695 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.37 -30.64 60.24 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.33 71.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.978 -1.076 . . . . 0.0 110.515 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.83 -39.62 76.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.251 -0.906 . . . . 0.0 112.13 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.495 1.778 0 O-C-N 120.581 -1.324 . . . . 0.0 110.128 -178.622 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.559 0.695 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -67.8 -29.42 68.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -58.94 -39.07 80.5 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.612 -1.305 . . . . 0.0 108.014 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -61.58 -40.13 93.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.295 -0.878 . . . . 0.0 109.051 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.0 t-105 -60.45 -48.29 82.39 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 64.8 t0 -57.49 -35.82 70.69 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -83.72 -6.76 59.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 108.958 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 147.69 52.53 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.036 -1.04 . . . . 0.0 109.368 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.1 t -74.06 162.38 29.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.554 -0.716 . . . . 0.0 109.443 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.26 -41.13 88.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.93 -1.106 . . . . 0.0 109.684 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.229 -0.919 . . . . 0.0 109.402 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.13 -40.74 94.86 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.161 -0.962 . . . . 0.0 109.054 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -68.54 -39.95 80.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.036 . . . . 0.0 109.747 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.237 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.91 -48.46 81.59 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.31 88.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.399 -0.813 . . . . 0.0 109.197 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.68 -40.29 94.47 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.896 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -64.63 -39.63 94.04 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 111.079 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.541 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 61.5 m95 -80.95 -10.24 59.74 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.256 -0.903 . . . . 0.0 110.799 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.8 tp -71.3 -47.04 13.86 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 120.519 -1.363 . . . . 0.0 111.869 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 37.8 Cg_endo -63.23 -29.6 73.53 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 CA-C-N 120.718 1.292 . . . . 0.0 112.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.56 -43.76 30.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.696 -1.252 . . . . 0.0 109.801 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 110' ' ' TRP . 41.3 t -70.1 -40.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.874 -1.141 . . . . 0.0 109.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -67.24 -40.17 86.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.211 -0.931 . . . . 0.0 109.627 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.25 95.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.608 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.01 89.03 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.22 -44.61 92.3 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.136 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 88.1 tt0 -61.01 -40.19 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.463 -0.773 . . . . 0.0 109.379 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.38 -40.03 92.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.085 -1.009 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -40.29 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.281 -0.887 . . . . 0.0 111.151 -177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.7 p30 -68.51 -17.45 64.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.845 -1.159 . . . . 0.0 110.167 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 41.3 tp60 -81.62 -1.02 45.06 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.25 21.39 78.51 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.168 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.89 149.36 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.923 -1.339 . . . . 0.0 109.102 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.6 m -59.9 141.04 56.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 p -58.54 -42.57 88.13 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.243 0.544 . . . . 0.0 110.122 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.11 -45.94 91.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.943 -1.098 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.6 m -69.18 -39.97 78.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.967 -1.083 . . . . 0.0 108.903 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.96 71.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.393 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.75 -39.21 76.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.83 93.35 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.2 m -60.85 -42.03 97.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 109.951 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.88 -42.97 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.969 -1.082 . . . . 0.0 109.291 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.86 -31.06 71.79 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 109.171 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.55 -44.65 63.11 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -79.21 -42.7 25.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.1 m-85 -99.84 136.65 39.44 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -86.54 69.12 10.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.285 -0.884 . . . . 0.0 109.623 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.86 157.25 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.709 -0.619 . . . . 0.0 109.652 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.6 t -74.12 130.34 39.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.501 -0.749 . . . . 0.0 110.432 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.02 -1.05 . . . . 0.0 109.331 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -63.53 -40.78 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.835 -1.165 . . . . 0.0 110.22 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 95.8 m -64.31 -51.96 60.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.589 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.77 -40.77 93.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 110.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -60.13 -50.89 71.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.999 -1.063 . . . . 0.0 110.621 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.41 -41.54 97.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.098 -1.001 . . . . 0.0 109.594 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.541 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 51.6 mtpt -63.56 -38.51 91.41 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.664 -0.648 . . . . 0.0 110.588 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -60.06 -42.6 94.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.132 -0.98 . . . . 0.0 109.596 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -69.54 -38.42 77.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.905 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.18 -39.0 84.96 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -77.8 -8.22 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.66 -1.275 . . . . 0.0 111.512 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.95 -37.23 78.93 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.107 -0.996 . . . . 0.0 110.292 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -76.85 -10.3 59.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.277 -0.89 . . . . 0.0 109.978 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.88 143.5 33.07 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.391 -0.818 . . . . 0.0 109.061 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.47 146.64 39.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 66.6 mttt -49.79 -49.77 71.54 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 0.0 111.439 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 50.6 Cg_endo -68.12 -20.01 44.35 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 120.463 1.201 . . . . 0.0 111.797 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 54.1 t0 -83.39 -9.4 59.06 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.528 -0.732 . . . . 0.0 109.357 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -57.6 -39.98 78.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.125 -0.985 . . . . 0.0 110.021 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.35 79.05 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.733 -1.23 . . . . 0.0 109.784 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -32.51 62.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.11 71.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.167 -0.958 . . . . 0.0 110.096 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.48 -8.93 57.94 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.173 -0.955 . . . . 0.0 110.092 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 179.154 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.789 0.804 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -68.33 -30.13 69.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.774 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -39.32 85.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.883 -1.136 . . . . 0.0 109.064 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.88 -40.0 94.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.569 -1.332 . . . . 0.0 108.618 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.493 ' CZ2' ' NE ' ' A' ' 104' ' ' ARG . 4.4 t-105 -60.85 -46.2 91.51 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.94 -40.27 88.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.27 -0.894 . . . . 0.0 110.226 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.16 -1.4 58.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.508 -0.745 . . . . 0.0 109.831 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 160.84 31.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.252 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.3 t -71.9 154.06 41.47 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.776 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -60.01 -39.93 87.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.736 . . . . 0.0 109.285 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.1 p -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 109.932 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.8 -40.52 92.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.944 -1.097 . . . . 0.0 109.876 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.493 ' NE ' ' CZ2' ' A' ' 96' ' ' TRP . 61.2 mtp180 -63.1 -38.23 90.36 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.88 -1.138 . . . . 0.0 109.317 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -60.69 -41.83 95.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.121 -0.987 . . . . 0.0 109.77 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.013 -1.054 . . . . 0.0 109.266 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.01 94.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.719 -1.238 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.62 -39.97 93.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 0.0 109.41 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.94 -40.95 97.62 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.19 -0.944 . . . . 0.0 111.988 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -85.47 -7.64 58.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.902 -1.124 . . . . 0.0 111.537 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.6 tp -73.63 -45.63 7.27 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.616 -1.302 . . . . 0.0 112.171 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 23.8 Cg_endo -61.34 -27.34 82.87 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 CA-C-N 121.274 1.491 . . . . 0.0 110.526 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.63 -46.15 19.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.633 -0.667 . . . . 0.0 109.783 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 115' ' ' GLN . 0.8 OUTLIER -68.3 -42.84 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.982 -1.074 . . . . 0.0 110.147 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.442 ' N ' ' CG1' ' A' ' 114' ' ' VAL . 12.7 tt0 -63.03 -40.19 96.99 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 108.687 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.95 93.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.398 -0.814 . . . . 0.0 109.323 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.4 -43.92 92.89 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 0.0 109.205 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.71 -40.4 92.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.266 -0.896 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.83 -40.08 91.44 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.943 -1.098 . . . . 0.0 108.983 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.65 -39.11 91.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.274 -0.891 . . . . 0.0 109.198 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.6 -40.0 90.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.829 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.35 -1.88 17.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.216 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.43 36.8 69.47 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 120.973 -1.079 . . . . 0.0 111.587 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.7 mt -82.32 148.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.989 -1.301 . . . . 0.0 109.01 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -56.86 139.68 50.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 108.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -56.61 -44.43 81.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.239 -0.913 . . . . 0.0 110.575 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.48 -43.99 93.16 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.93 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.0 m -70.52 -42.13 71.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.034 -1.041 . . . . 0.0 109.923 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.82 70.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.26 -0.9 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.15 -39.49 89.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.125 -0.984 . . . . 0.0 108.828 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.918 -1.113 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.2 m -61.52 -44.85 96.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.188 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.82 -40.1 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 120.908 -1.12 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.14 -27.41 66.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.227 -0.921 . . . . 0.0 108.81 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.27 -47.05 13.65 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.25 -40.76 77.66 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.939 -1.33 . . . . 0.0 109.408 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.7 m-85 -105.52 136.95 44.17 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.885 -0.51 . . . . 0.0 109.777 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -78.96 66.91 4.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.288 -0.883 . . . . 0.0 108.676 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.16 158.54 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.8 m -76.34 129.32 36.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 108.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.15 87.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.92 -1.112 . . . . 0.0 109.311 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.3 m -64.12 -40.08 95.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.398 -0.814 . . . . 0.0 110.478 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.3 m -64.7 -49.92 68.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.149 -0.969 . . . . 0.0 109.719 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.08 -41.7 93.02 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.518 -0.739 . . . . 0.0 109.638 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.6 -50.37 74.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.514 -0.741 . . . . 0.0 110.174 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.35 -41.1 96.51 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.083 -1.01 . . . . 0.0 109.847 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.26 -35.3 75.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.7 -39.97 86.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.133 -0.979 . . . . 0.0 109.871 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -68.85 -37.63 79.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 109.668 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -39.38 85.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.681 -0.637 . . . . 0.0 110.879 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.421 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 20.8 m -77.67 -10.79 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.721 -1.237 . . . . 0.0 110.786 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.08 -37.29 79.47 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.845 -1.159 . . . . 0.0 109.458 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.16 -11.02 59.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 0.0 109.132 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.73 140.5 37.97 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.195 -0.941 . . . . 0.0 109.577 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.31 145.0 33.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.046 -1.034 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 7.9 mtmp? -47.26 -50.83 45.95 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.829 -0.545 . . . . 0.0 110.964 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 48.8 Cg_endo -65.8 -27.73 51.63 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 CA-C-N 120.536 1.227 . . . . 0.0 111.151 178.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -80.52 -6.09 57.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 152' ' ' VAL . 31.0 m0 -59.9 -40.24 88.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.002 -1.062 . . . . 0.0 109.914 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.028 -1.045 . . . . 0.0 108.882 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -71.97 -37.05 69.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.3 71.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.261 -0.899 . . . . 0.0 111.728 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 58.7 mt -73.93 0.12 14.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.101 -1.0 . . . . 0.0 111.094 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 162' ' ' ALA . 25.2 m . . . . . 0 N--CA 1.489 1.49 0 O-C-N 120.629 -1.295 . . . . 0.0 109.131 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 121.642 0.734 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -67.57 -30.65 70.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.0 t -59.99 -39.9 87.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.851 -1.156 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.03 -39.86 96.02 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.842 -1.161 . . . . 0.0 108.438 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.482 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.3 t-105 -60.52 -44.66 95.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.657 -0.652 . . . . 0.0 109.368 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 58.4 t0 -54.11 -35.75 62.48 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.498 -0.751 . . . . 0.0 109.137 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -85.74 -9.15 57.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.794 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.65 142.01 58.2 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.837 -1.164 . . . . 0.0 108.65 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.5 p -71.5 162.27 29.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 109.993 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 102' ' ' SER . 37.3 p-10 -59.92 -39.85 86.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.483 -0.76 . . . . 0.0 109.858 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.57 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 80.2 p -59.94 -40.02 87.5 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.873 -1.142 . . . . 0.0 108.805 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -65.4 -39.91 92.79 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.357 -0.839 . . . . 0.0 108.742 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -66.15 -39.96 90.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.688 -0.633 . . . . 0.0 110.556 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -60.75 -42.38 97.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.518 -0.739 . . . . 0.0 109.931 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.24 -50.75 72.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.16 89.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.207 -0.933 . . . . 0.0 109.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.31 -39.67 87.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.408 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -64.95 -40.08 94.48 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.227 -0.92 . . . . 0.0 110.804 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.518 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.2 m95 -80.57 -10.3 59.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.501 -0.749 . . . . 0.0 111.367 -178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 36.6 tp -73.33 -48.13 7.38 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.462 -1.398 . . . . 0.0 111.461 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 58.2 Cg_endo -68.89 -24.62 33.64 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 120.998 1.392 . . . . 0.0 112.75 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.44 39.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.912 -1.117 . . . . 0.0 110.157 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.3 t -70.49 -42.8 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.26 -42.61 96.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.0 97.46 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.52 94.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 108.884 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -42.05 84.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.463 -0.773 . . . . 0.0 110.045 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.48 -40.02 94.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.958 -1.089 . . . . 0.0 109.378 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 75.6 mtp -61.69 -39.98 93.38 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.943 -1.098 . . . . 0.0 110.05 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.25 -37.37 87.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 0.0 109.194 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -38.44 82.72 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 109.848 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -73.99 -5.62 42.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.986 -1.071 . . . . 0.0 108.484 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.27 35.96 56.22 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.455 -0.778 . . . . 0.0 111.207 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.1 140.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.273 -1.134 . . . . 0.0 109.226 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -47.96 131.99 15.3 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.055 -1.028 . . . . 0.0 109.78 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 p -57.65 -41.61 81.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.482 -0.761 . . . . 0.0 110.748 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.78 -48.26 82.39 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.651 -1.28 . . . . 0.0 108.556 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.4 m -67.86 -40.53 83.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.923 -1.111 . . . . 0.0 108.921 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.59 73.1 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.387 -0.821 . . . . 0.0 110.728 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -67.78 -40.11 84.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.758 -1.214 . . . . 0.0 109.512 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.6 93.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.979 -1.076 . . . . 0.0 110.117 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -61.35 -42.05 98.06 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.063 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.1 t -66.48 -46.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.794 -0.566 . . . . 0.0 109.891 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.16 -38.55 86.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.756 -1.215 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.26 -44.73 90.19 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -75.4 -44.96 41.88 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.172 -1.193 . . . . 0.0 110.071 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 83.7 m-85 -95.77 137.69 34.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.235 -0.916 . . . . 0.0 108.757 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.05 60.1 5.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.663 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.68 157.45 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-O 121.638 0.733 . . . . 0.0 109.605 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.9 m -73.09 134.94 44.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.566 -0.709 . . . . 0.0 109.738 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.36 85.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.983 -1.073 . . . . 0.0 108.54 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.3 t -63.52 -40.68 97.67 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.503 -0.748 . . . . 0.0 110.619 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.4 m -61.95 -50.01 73.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.347 -0.846 . . . . 0.0 110.052 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.59 -40.51 92.03 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.122 -0.986 . . . . 0.0 109.91 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.19 -51.95 67.41 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.164 -0.96 . . . . 0.0 110.443 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.6 -43.97 96.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 0.0 110.523 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -68.32 -37.13 80.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.829 -1.169 . . . . 0.0 111.105 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.65 -49.67 75.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 109.847 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -64.26 -38.65 91.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.082 -1.011 . . . . 0.0 108.607 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.86 -41.83 92.34 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 110.207 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -81.58 -16.62 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.572 -1.33 . . . . 0.0 109.66 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.64 -36.48 76.45 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.333 -0.855 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -75.89 -11.92 60.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.434 -0.791 . . . . 0.0 109.824 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.26 145.51 35.79 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.248 -0.908 . . . . 0.0 109.453 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -57.44 147.08 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.428 -0.795 . . . . 0.0 109.565 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 3.4 mttm -60.96 -43.12 90.19 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 111.06 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 86.4 Cg_exo -49.47 -38.85 44.76 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.994 1.796 . . . . 0.0 113.143 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.59 2.56 54.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 111.738 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -57.47 -42.17 82.07 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.937 -1.102 . . . . 0.0 109.332 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.106 . . . . 0.0 109.058 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.39 49.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 110.46 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.83 68.1 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.716 -1.24 . . . . 0.0 110.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.05 -30.06 67.23 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.067 -1.021 . . . . 0.0 112.94 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 165' ' ' VAL . 1.3 m . . . . . 0 N--CA 1.492 1.667 0 O-C-N 120.11 -1.619 . . . . 0.0 109.851 -178.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.804 0.812 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.89 -34.93 74.2 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.533 -0.729 . . . . 0.0 110.302 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -60.49 -41.91 95.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.927 -1.108 . . . . 0.0 108.481 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.18 -40.02 88.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.472 -0.767 . . . . 0.0 108.939 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.5 t-105 -61.14 -48.24 82.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.97 -1.082 . . . . 0.0 109.454 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 60.7 t0 -58.23 -36.13 72.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.218 -0.927 . . . . 0.0 109.193 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -83.74 -3.36 57.74 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.077 -1.014 . . . . 0.0 110.187 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.52 154.22 42.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.142 -0.974 . . . . 0.0 110.02 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.1 p -70.82 160.06 33.44 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 102' ' ' SER . 40.3 p-10 -60.97 -39.83 91.08 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.121 -0.987 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 23.1 t -60.01 -39.8 87.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.961 -1.087 . . . . 0.0 110.269 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -39.94 95.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.439 -0.788 . . . . 0.0 109.0 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 91.8 mtt180 -65.6 -40.19 92.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.291 -179.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.86 -40.07 83.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.899 -1.126 . . . . 0.0 110.213 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -40.57 94.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.12 -0.988 . . . . 0.0 108.574 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.01 88.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.88 . . . . 0.0 109.685 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.83 -40.05 91.33 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.457 -0.777 . . . . 0.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -67.95 -39.91 83.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.536 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.524 ' O ' HG23 ' A' ' 114' ' ' VAL . 65.4 m95 -81.02 -9.48 59.83 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.036 -1.04 . . . . 0.0 111.677 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 6.3 tp -75.4 -48.21 4.15 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 120.333 -1.479 . . . . 0.0 111.819 -178.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.5 Cg_endo -66.84 -27.84 43.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 CA-C-N 121.108 1.431 . . . . 0.0 112.392 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.05 -42.15 57.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.766 -1.209 . . . . 0.0 110.167 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -68.48 -42.5 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.074 -1.016 . . . . 0.0 109.051 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.41 -40.1 92.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.043 -1.036 . . . . 0.0 108.859 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.71 94.72 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.225 -0.922 . . . . 0.0 109.832 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.46 85.64 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.492 -0.755 . . . . 0.0 108.972 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 6.9 t70 -57.56 -47.36 82.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.328 -0.857 . . . . 0.0 109.646 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.66 -40.3 96.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.047 -1.033 . . . . 0.0 110.22 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.41 -40.11 81.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.983 -1.073 . . . . 0.0 109.655 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.5 -36.41 81.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.107 . . . . 0.0 109.704 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 94.7 m-20 -60.04 -39.87 87.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.053 -1.029 . . . . 0.0 109.81 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -65.8 -5.21 8.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.0 109.083 -179.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.82 66.48 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.111 -0.993 . . . . 0.0 111.009 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.26 149.26 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.895 -1.356 . . . . 0.0 108.841 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -49.51 133.21 20.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 0.0 109.92 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -57.81 -42.86 85.15 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.693 0.759 . . . . 0.0 109.405 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -59.32 -47.27 86.03 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.033 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.0 m -66.87 -40.91 87.98 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.801 -1.187 . . . . 0.0 109.31 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.75 -54.22 47.86 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -67.12 -39.97 86.75 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.153 -0.967 . . . . 0.0 109.6 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.22 86.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.697 -1.252 . . . . 0.0 109.377 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.3 m -65.12 -42.16 94.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.76 -42.19 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.105 -0.997 . . . . 0.0 109.479 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.64 -30.26 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.85 -1.156 . . . . 0.0 109.065 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.07 -46.87 57.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -73.42 -43.75 59.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.012 -1.287 . . . . 0.0 108.958 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -97.56 130.7 44.59 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.554 -0.716 . . . . 0.0 109.588 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.05 61.71 4.0 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.721 -1.237 . . . . 0.0 109.53 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.66 153.01 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 CA-C-O 121.93 0.871 . . . . 0.0 110.026 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 t -71.8 130.47 41.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.955 . . . . 0.0 109.998 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.11 88.99 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.373 -0.83 . . . . 0.0 109.723 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.5 t -65.8 -40.75 92.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.21 -0.932 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.3 m -65.53 -50.29 65.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 110.156 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.02 -42.53 94.55 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.571 -0.706 . . . . 0.0 109.999 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.424 ' HG2' HH11 ' A' ' 146' ' ' ARG . 30.1 ttt-85 -60.13 -49.28 78.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.863 -1.148 . . . . 0.0 109.748 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -61.33 -40.68 95.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.033 -1.042 . . . . 0.0 110.102 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -66.06 -39.12 89.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.408 -0.807 . . . . 0.0 110.589 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.99 -45.85 91.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -177.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -68.67 -40.05 80.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.163 -1.585 . . . . 0.0 109.351 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.26 -40.18 89.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.552 -0.718 . . . . 0.0 111.162 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.49 -11.32 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 120.475 -1.391 . . . . 0.0 109.93 -179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.0 -39.66 86.56 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.353 -0.842 . . . . 0.0 110.168 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.68 -9.01 58.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.791 -1.193 . . . . 0.0 109.508 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -106.34 146.34 30.55 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.41 -0.806 . . . . 0.0 109.933 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.97 50.28 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 53.7 mttm -50.05 -52.48 52.56 Favored Pre-proline 0 N--CA 1.487 1.423 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.106 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 25.7 Cg_endo -61.84 -21.66 72.69 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.94 1.093 . . . . 0.0 111.915 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.97 -10.1 59.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.375 -0.828 . . . . 0.0 109.718 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -59.03 -39.95 83.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.675 . . . . 0.0 109.981 -178.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.004 -1.06 . . . . 0.0 110.652 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -68.55 -39.63 80.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.128 -0.982 . . . . 0.0 109.945 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.42 80.85 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 110.693 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.13 -38.7 82.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.064 -1.022 . . . . 0.0 112.06 -177.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 162' ' ' ALA . 14.1 m . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.461 -1.4 . . . . 0.0 110.611 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.3 tp . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -64.04 -34.35 77.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.102 179.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -41.48 92.29 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.733 -1.229 . . . . 0.0 109.046 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -40.46 94.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.963 . . . . 0.0 108.632 179.28 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.0 t-105 -61.36 -49.34 77.34 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.86 -39.85 82.57 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.961 -1.087 . . . . 0.0 109.347 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.96 -3.04 59.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.066 -1.021 . . . . 0.0 109.117 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.01 154.08 42.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.143 -0.973 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 t -72.34 159.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.888 -1.132 . . . . 0.0 109.808 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.96 -40.09 87.83 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.775 -0.578 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -58.09 -40.75 81.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.178 -0.951 . . . . 0.0 109.153 -179.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -63.71 -41.99 98.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -69.43 -41.05 76.84 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.643 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -60.0 -49.74 76.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 0.0 109.137 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.03 -45.59 94.17 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.589 0.709 . . . . 0.0 109.511 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.02 98.11 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.673 -1.267 . . . . 0.0 109.97 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.27 -40.03 94.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.66 -39.88 92.93 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.814 -1.179 . . . . 0.0 110.553 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.434 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.3 m95 -82.65 -6.17 59.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.115 -0.991 . . . . 0.0 111.101 -178.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.1 tp -74.63 -46.13 5.48 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.385 -1.447 . . . . 0.0 112.249 -178.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 73.9 Cg_endo -70.99 -21.41 27.8 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 CA-C-N 120.852 1.34 . . . . 0.0 112.047 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.09 53.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.83 -40.94 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.252 -0.905 . . . . 0.0 109.65 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.65 -40.56 80.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.47 -0.769 . . . . 0.0 110.4 -178.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.65 90.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.019 -1.051 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 35.8 t0 -59.89 -47.47 85.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 -179.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -61.13 -40.13 92.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.907 . . . . 0.0 109.701 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.1 mtt -61.24 -40.05 92.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.381 -0.825 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.46 -39.62 92.23 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.02 -40.1 92.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.938 . . . . 0.0 109.834 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.46 1.52 18.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.13 40.31 50.79 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 120.154 -1.022 . . . . 0.0 111.699 178.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.6 mm -79.95 141.68 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.179 -1.189 . . . . 0.0 109.096 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 t -56.26 139.67 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.738 -1.226 . . . . 0.0 108.673 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -59.75 -44.36 93.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.738 -1.226 . . . . 0.0 109.682 -178.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -59.02 -44.36 91.71 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.716 -1.24 . . . . 0.0 109.216 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.3 m -69.87 -41.53 74.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.964 -1.085 . . . . 0.0 109.604 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.96 71.46 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.376 -0.827 . . . . 0.0 110.559 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.71 -39.95 76.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.16 -0.963 . . . . 0.0 109.308 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.72 97.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.938 -1.101 . . . . 0.0 109.714 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.1 m -60.6 -43.75 97.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.023 -1.048 . . . . 0.0 109.142 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.78 -41.67 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.064 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.23 -29.12 68.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.001 -1.062 . . . . 0.0 109.849 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.89 -49.5 22.62 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -72.12 -40.35 68.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.813 -1.404 . . . . 0.0 109.146 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.4 m-85 -99.26 134.58 41.91 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.392 -0.818 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -83.8 61.58 6.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.009 -1.057 . . . . 0.0 109.516 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.41 157.03 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-O 121.816 0.817 . . . . 0.0 110.775 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.6 t -72.0 130.14 40.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.13 88.82 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.26 -0.9 . . . . 0.0 109.824 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.3 m -60.61 -40.08 90.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 110.01 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.6 m -63.46 -47.65 80.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 110.327 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.09 -40.57 90.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.441 0.638 . . . . 0.0 109.855 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -59.58 -48.03 83.24 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 109.696 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.5 -43.94 96.49 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.118 -0.989 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.63 -37.64 87.14 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.547 -0.721 . . . . 0.0 110.14 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.92 -47.1 87.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.341 -0.849 . . . . 0.0 110.172 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -67.83 -32.35 72.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.942 -1.099 . . . . 0.0 109.226 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.03 -40.02 87.88 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.0 110.52 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.26 -13.03 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.926 -1.108 . . . . 0.0 111.328 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -59.31 -38.27 79.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.743 -1.223 . . . . 0.0 109.648 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -76.09 -3.15 34.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -114.03 144.04 43.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.225 -0.922 . . . . 0.0 109.045 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.86 147.27 29.07 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.3 mptt -59.55 -39.97 75.89 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 120.813 -1.179 . . . . 0.0 112.018 -177.363 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 35.6 Cg_exo -57.42 -38.88 92.97 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.736 1.624 . . . . 0.0 113.102 -179.811 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 8.0 p-10 -88.99 5.53 43.83 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.79 -1.194 . . . . 0.0 110.378 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -57.92 -40.0 79.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.704 -1.248 . . . . 0.0 108.983 178.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.87 82.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 108.792 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.44 57.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.305 -0.872 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.69 -23.85 66.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.275 -0.891 . . . . 0.0 110.918 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.72 -28.25 65.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.647 -1.283 . . . . 0.0 110.989 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.491 1.597 0 O-C-N 120.815 -1.178 . . . . 0.0 109.466 179.895 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.9 tp . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.999 0.428 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -67.35 -25.74 66.14 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.046 -1.034 . . . . 0.0 109.722 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.3 m -59.85 -41.57 91.71 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.656 -1.278 . . . . 0.0 108.646 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -61.22 -40.79 95.32 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.5 t-105 -60.27 -49.23 78.42 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 58.9 t0 -58.94 -38.04 78.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 109.202 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -82.57 -9.93 59.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.48 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.21 150.04 46.87 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.271 -0.893 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.62 161.39 31.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.914 -1.116 . . . . 0.0 109.552 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.558 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 6.2 m-20 -60.15 -39.88 87.93 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.597 -0.689 . . . . 0.0 110.718 -178.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.73 -40.01 86.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.845 -1.159 . . . . 0.0 109.561 -178.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 21.0 mp0 -66.75 -40.39 88.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.852 -1.155 . . . . 0.0 109.488 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.558 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 86.8 mtm180 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.604 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 105' ' ' ARG . 35.3 ttt-85 -62.57 -42.17 99.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.349 -0.844 . . . . 0.0 110.354 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.96 -42.75 98.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.004 -1.06 . . . . 0.0 109.288 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.062 -1.024 . . . . 0.0 109.491 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -40.66 91.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.858 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -67.64 -40.07 84.62 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.531 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 65.8 m95 -80.56 -10.15 59.75 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.142 -0.974 . . . . 0.0 112.317 -178.226 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 32.7 tp -75.3 -47.28 4.44 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.371 -1.455 . . . . 0.0 111.497 -178.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 53.8 Cg_endo -65.48 -21.51 60.2 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 CA-C-N 121.019 1.4 . . . . 0.0 112.41 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.9 32.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 110.441 -179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.2 t -65.57 -45.84 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.489 -179.289 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.97 -40.05 90.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.98 -1.075 . . . . 0.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.878 -1.138 . . . . 0.0 108.914 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.28 89.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.521 -0.737 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 118' ' ' ASP . 49.1 t0 -59.2 -39.16 81.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.987 . . . . 0.0 109.628 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.041 -1.037 . . . . 0.0 109.878 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.8 mmt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.754 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.15 -33.04 73.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -59.99 -39.7 86.64 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.923 . . . . 0.0 110.66 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.15 4.18 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.871 -1.143 . . . . 0.0 110.041 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.64 28.47 70.9 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.784 178.731 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 126' ' ' SER . 96.6 mt -75.28 157.24 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.981 -1.305 . . . . 0.0 108.749 179.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 125' ' ' ILE . 48.3 t -60.03 140.3 56.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.89 -1.131 . . . . 0.0 109.706 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -59.81 -41.25 90.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.843 -1.16 . . . . 0.0 110.299 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -60.11 -46.73 88.62 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.527 -178.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.2 m -67.59 -39.93 84.8 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.75 41.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.509 -0.744 . . . . 0.0 110.955 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.136 -0.978 . . . . 0.0 109.618 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.12 93.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.554 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.2 m -61.84 -45.7 92.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.102 -0.999 . . . . 0.0 108.975 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.04 -47.04 80.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.65 -31.1 72.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.322 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.76 -47.0 42.65 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -73.94 -43.82 57.01 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.022 -1.281 . . . . 0.0 109.393 179.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.448 ' O ' ' O ' ' A' ' 135' ' ' ALA . 87.0 m-85 -96.37 134.54 39.39 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.21 -0.932 . . . . 0.0 109.415 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -83.37 65.81 8.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.42 -0.8 . . . . 0.0 109.1 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.27 157.91 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.495 -0.753 . . . . 0.0 109.668 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.1 t -72.24 129.13 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.486 -0.759 . . . . 0.0 110.042 -179.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.51 86.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.209 -0.932 . . . . 0.0 110.03 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 t -63.99 -40.68 96.92 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.5 m -61.97 -50.09 73.5 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.237 -0.914 . . . . 0.0 109.606 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.21 -41.88 93.98 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.096 -1.003 . . . . 0.0 109.745 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.06 -45.61 92.3 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.923 -1.111 . . . . 0.0 110.6 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 147' ' ' ASP . 46.8 t0 -60.03 -47.91 83.89 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.884 -1.135 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . 0.531 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 49.6 mtmt -69.51 -30.42 68.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.491 -0.756 . . . . 0.0 110.855 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -58.75 -49.92 75.84 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.693 -178.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -69.94 -33.79 72.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.828 -1.17 . . . . 0.0 110.428 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.28 -39.78 88.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.947 -1.096 . . . . 0.0 111.666 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.14 -10.65 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.605 -1.309 . . . . 0.0 112.136 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.2 -38.6 77.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.589 -1.32 . . . . 0.0 110.398 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -75.07 -5.81 46.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.818 -1.176 . . . . 0.0 109.747 -179.029 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.46 145.56 39.99 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.479 -0.763 . . . . 0.0 109.901 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.559 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -61.38 140.05 58.09 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.739 0.781 . . . . 0.0 110.817 -178.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 40.0 mttp -51.41 -49.98 79.05 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.622 -0.674 . . . . 0.0 111.318 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 12.1 Cg_endo -54.55 -30.49 65.26 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.39 1.394 . . . . 0.0 112.71 -179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.559 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 4.3 p30 -88.54 -0.03 56.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 0.0 109.97 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -56.53 -39.99 74.31 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.914 -1.116 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.87 94.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.6 -1.312 . . . . 0.0 109.683 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -75.75 -35.67 60.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.352 -0.842 . . . . 0.0 109.747 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.33 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 111.348 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.38 -21.4 62.87 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.841 -1.162 . . . . 0.0 111.429 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 162' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 O-C-N 120.678 -1.264 . . . . 0.0 109.677 -178.607 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.94 -29.13 66.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.273 -0.892 . . . . 0.0 110.295 179.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.8 m -59.85 -41.12 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.009 -1.057 . . . . 0.0 109.016 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -63.44 -40.07 96.17 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.9 t-105 -61.61 -47.74 84.07 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.12 -39.59 82.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -80.86 -8.13 59.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.322 -0.861 . . . . 0.0 109.404 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.83 44.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.383 -0.823 . . . . 0.0 109.574 -179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -72.21 162.36 29.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.0 110.215 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 101' ' ' ASP . 58.2 t0 -60.05 -39.82 87.3 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.876 -0.515 . . . . 0.0 109.796 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.808 -1.182 . . . . 0.0 109.821 -179.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.13 -41.78 85.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.092 -1.005 . . . . 0.0 110.085 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.16 -40.01 78.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.914 -1.116 . . . . 0.0 109.089 179.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.07 -40.22 97.03 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.463 -0.773 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.96 -50.04 75.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.867 -1.146 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.84 86.24 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.802 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.79 -40.08 91.3 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.944 -1.098 . . . . 0.0 109.761 -179.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -65.01 -39.9 94.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.73 . . . . 0.0 110.549 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 114' ' ' VAL . 86.3 m95 -81.21 -10.44 59.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.259 -0.901 . . . . 0.0 110.806 -179.055 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 50.7 tp -70.92 -47.9 14.81 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.516 -1.365 . . . . 0.0 111.981 -177.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 38.5 Cg_endo -65.08 -25.06 58.83 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 CA-C-N 120.857 1.342 . . . . 0.0 112.211 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.25 52.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.824 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 110' ' ' TRP . 47.5 t -69.9 -40.94 79.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.303 -0.873 . . . . 0.0 109.456 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -69.24 -41.81 76.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.992 -1.068 . . . . 0.0 109.842 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.745 -1.222 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.86 86.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.058 -1.026 . . . . 0.0 109.792 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.97 -43.53 95.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.215 -0.928 . . . . 0.0 109.74 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -41.53 96.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.19 -41.29 98.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.773 -1.204 . . . . 0.0 109.569 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.06 -36.61 84.57 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.06 -40.41 89.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.674 -0.641 . . . . 0.0 110.142 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.512 HE21 HD11 ' A' ' 125' ' ' ILE . 16.6 tt0 -72.36 -0.61 12.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.25 -0.906 . . . . 0.0 109.047 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.0 65.28 Favored Glycine 0 N--CA 1.496 2.641 0 O-C-N 120.951 -1.093 . . . . 0.0 111.837 177.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.512 HD11 HE21 ' A' ' 123' ' ' GLN . 94.8 mt -74.15 144.26 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.973 -1.31 . . . . 0.0 108.167 178.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.1 t -56.53 139.97 47.81 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.6 p -58.87 -41.25 86.61 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.07 -1.019 . . . . 0.0 110.289 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.52 -44.59 93.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.947 -1.096 . . . . 0.0 108.875 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -69.93 -42.31 73.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.88 -1.138 . . . . 0.0 109.83 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.04 75.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.185 -0.947 . . . . 0.0 110.379 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -66.57 -39.43 88.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.88 -1.137 . . . . 0.0 109.181 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.66 80.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.03 -1.044 . . . . 0.0 109.033 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -63.02 -44.07 96.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.947 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.6 -49.88 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.0 109.766 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.84 -28.56 69.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.432 -0.792 . . . . 0.0 109.179 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.53 -48.25 14.01 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.59 -42.3 71.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.332 -1.099 . . . . 0.0 109.62 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 135' ' ' ALA . 90.5 m-85 -99.9 138.78 36.5 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.268 -0.895 . . . . 0.0 109.287 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -84.14 63.69 7.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.239 -0.913 . . . . 0.0 109.139 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.13 159.87 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 CA-C-O 121.765 0.793 . . . . 0.0 109.679 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -75.46 127.81 33.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.416 -0.803 . . . . 0.0 109.031 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.62 90.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.032 -1.043 . . . . 0.0 109.532 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.1 m -62.01 -40.31 95.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.408 -0.808 . . . . 0.0 110.415 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.6 m -65.37 -46.06 81.64 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.982 -1.074 . . . . 0.0 109.45 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.09 -41.53 92.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 110.061 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -59.94 -49.06 79.16 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.185 -0.947 . . . . 0.0 110.278 -178.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.45 -43.86 96.42 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.846 -1.159 . . . . 0.0 111.208 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.79 -34.33 76.56 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.067 . . . . 0.0 110.963 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -60.13 -49.58 77.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.802 -1.186 . . . . 0.0 110.355 -178.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -67.91 -36.74 80.7 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.643 -1.286 . . . . 0.0 110.059 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.01 -40.33 88.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.222 -0.924 . . . . 0.0 111.506 -178.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 m -81.96 -7.72 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.996 -1.065 . . . . 0.0 110.252 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 153' ' ' GLN . 1.9 tm0? -58.86 -40.29 83.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.939 -1.1 . . . . 0.0 110.01 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.56 -3.38 46.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.888 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.48 141.08 38.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.261 -0.899 . . . . 0.0 109.65 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -59.32 144.98 44.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.263 -0.898 . . . . 0.0 108.703 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.9 mptt -59.04 -40.01 78.27 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.942 -1.099 . . . . 0.0 111.646 -177.366 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 33.7 Cg_exo -61.77 -35.76 77.56 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.814 1.676 . . . . 0.0 112.417 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.72 0.73 49.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.441 -0.787 . . . . 0.0 110.414 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 28.6 m0 -56.98 -39.98 75.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.988 -1.07 . . . . 0.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.9 84.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.047 -1.033 . . . . 0.0 109.422 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.19 60.87 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.866 -1.147 . . . . 0.0 109.771 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.137 -0.977 . . . . 0.0 110.546 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.91 -39.69 87.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.24 -0.913 . . . . 0.0 110.049 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.08 -1.013 . . . . 0.0 109.065 179.548 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -64.15 -35.1 79.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.743 -0.598 . . . . 0.0 109.435 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -59.89 -39.83 86.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.094 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.42 -40.14 89.96 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -61.94 -46.18 90.46 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.96 -40.49 89.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.864 -1.147 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -82.65 -7.07 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.971 -1.081 . . . . 0.0 109.016 -179.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 148.78 49.38 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.27 -0.894 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -69.78 158.23 35.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 31.7 p-10 -59.75 -37.08 78.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.824 . . . . 0.0 110.225 -179.147 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 92.8 p -59.77 -40.73 89.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.853 . . . . 0.0 109.267 -179.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.17 -43.52 94.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.784 -1.198 . . . . 0.0 108.654 178.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -70.06 -41.68 73.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.231 -0.918 . . . . 0.0 109.663 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.038 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.39 -49.82 76.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.0 109.355 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -60.65 -39.04 86.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.156 -0.965 . . . . 0.0 109.799 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.14 -40.0 96.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.098 -1.001 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.9 m95 -84.33 -6.73 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.246 -0.909 . . . . 0.0 111.412 -178.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.5 tp -73.21 -45.28 8.02 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 120.509 -1.37 . . . . 0.0 112.227 -178.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.8 Cg_endo -66.77 -30.4 41.19 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 CA-C-N 120.811 1.325 . . . . 0.0 112.435 -179.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -40.65 50.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.72 -1.238 . . . . 0.0 110.249 -179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -70.4 -44.63 77.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.142 -0.974 . . . . 0.0 109.348 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -63.0 -43.48 98.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 109.149 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.46 89.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.53 -0.732 . . . . 0.0 109.408 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.65 85.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -59.95 -45.79 91.51 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 109.988 -179.025 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.38 -42.43 95.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.883 -1.136 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.4 mtp -65.63 -40.27 92.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 121' ' ' LEU . 91.9 mt -62.47 -39.8 94.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.142 -0.974 . . . . 0.0 109.453 -179.739 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 0.0 109.316 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.88 -9.56 3.09 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.474 -0.766 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.84 29.61 64.91 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.438 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.66 145.31 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -1.223 . . . . 0.0 108.347 178.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 m -53.01 137.81 32.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.115 -0.991 . . . . 0.0 108.698 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -58.29 -43.21 87.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.647 -0.658 . . . . 0.0 110.135 -178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.86 -48.6 81.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.067 -1.021 . . . . 0.0 109.621 -179.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.9 m -66.29 -42.02 88.94 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.537 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.87 72.05 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.523 -0.735 . . . . 0.0 111.124 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -67.35 -39.09 85.74 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.94 -1.1 . . . . 0.0 109.602 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.19 74.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.332 -0.855 . . . . 0.0 109.163 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.7 m -61.19 -42.51 98.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.894 -1.129 . . . . 0.0 110.061 179.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.71 -45.44 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.284 -0.885 . . . . 0.0 109.663 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.77 -27.14 67.35 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.01 -45.68 40.28 Favored Glycine 0 N--CA 1.484 1.837 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -75.59 -44.37 43.44 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.279 -1.13 . . . . 0.0 109.027 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 135' ' ' ALA . 91.8 m-85 -97.46 139.99 32.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.34 -0.85 . . . . 0.0 110.074 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -85.08 63.39 8.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.916 -1.115 . . . . 0.0 109.494 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.38 157.69 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.338 -0.851 . . . . 0.0 109.953 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.0 t -73.07 131.6 42.3 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.393 -0.817 . . . . 0.0 109.629 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.39 89.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.9 t -65.08 -39.97 93.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.903 -1.123 . . . . 0.0 110.349 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.9 m -64.86 -48.68 73.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.081 -1.012 . . . . 0.0 110.713 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.89 -44.75 94.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.101 -0.999 . . . . 0.0 110.133 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -60.1 -48.82 80.14 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.771 -1.206 . . . . 0.0 109.976 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.03 -49.13 78.64 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.02 -1.05 . . . . 0.0 110.38 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.04 -31.44 71.97 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.231 -0.918 . . . . 0.0 110.668 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.36 -40.99 83.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.038 -1.039 . . . . 0.0 109.467 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.56 -35.18 70.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.204 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.26 -40.03 88.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 111.302 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.12 -12.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.078 -1.014 . . . . 0.0 109.381 -179.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.8 -37.58 79.56 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.859 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -76.35 -6.19 50.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 110.547 -179.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -109.94 149.58 29.72 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.097 -1.002 . . . . 0.0 109.948 -179.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 108.741 -179.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -50.1 -49.9 72.67 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.98 -1.075 . . . . 0.0 110.238 -179.059 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 50.0 Cg_exo -53.35 -34.13 69.32 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.108 1.872 . . . . 0.0 112.651 -179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 9.5 t0 -87.4 1.07 54.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.359 -0.838 . . . . 0.0 110.146 -179.089 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -59.41 -40.35 86.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.893 -1.129 . . . . 0.0 109.135 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.29 -46.89 76.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.686 -1.258 . . . . 0.0 109.291 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.4 62.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 179.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.27 85.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.207 -0.933 . . . . 0.0 110.049 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.02 -39.79 94.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.941 -1.1 . . . . 0.0 109.713 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.304 -1.4 0 O-C-N 121.167 -0.958 . . . . 0.0 109.12 -179.114 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.714 0.769 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -69.47 -32.68 71.73 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.404 -0.81 . . . . 0.0 110.99 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -59.75 -39.95 86.48 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 108.363 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' ALA . 60.7 tttp -60.83 -42.14 97.15 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.3 t-105 -61.01 -50.08 74.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.516 -0.74 . . . . 0.0 109.412 178.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.83 -40.17 87.57 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.873 -1.142 . . . . 0.0 109.014 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.94 -0.81 57.19 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.543 -0.723 . . . . 0.0 110.245 -179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -67.23 158.57 31.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.245 -0.909 . . . . 0.0 109.148 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.7 t -70.03 153.42 43.23 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 19.4 p-10 -60.06 -37.2 79.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -0.959 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.7 p -60.16 -39.99 88.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.945 -1.097 . . . . 0.0 108.852 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.88 -40.05 95.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.009 -1.057 . . . . 0.0 109.031 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' HG3' ' NH1' ' A' ' 104' ' ' ARG . 14.1 mmm-85 -65.24 -41.78 93.99 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.7 -44.2 86.88 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.37 0.605 . . . . 0.0 109.711 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.4 -46.01 91.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.679 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.24 94.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.098 -1.001 . . . . 0.0 109.958 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.368 -0.832 . . . . 0.0 109.545 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.15 -40.2 90.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.214 -0.929 . . . . 0.0 111.418 -179.098 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 114' ' ' VAL . 76.8 m95 -81.16 -8.8 59.83 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.132 -0.98 . . . . 0.0 111.333 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.408 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 63.4 tp -74.95 -47.53 4.76 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 120.395 -1.441 . . . . 0.0 111.903 -178.112 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 63.5 Cg_endo -70.29 -26.48 25.04 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 CA-C-N 121.077 1.42 . . . . 0.0 112.979 179.702 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.71 -41.4 53.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.693 -1.254 . . . . 0.0 109.841 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 110' ' ' TRP . 62.1 t -69.45 -40.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 108.781 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -65.41 -40.81 93.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.205 -0.934 . . . . 0.0 109.711 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.89 95.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.34 -0.85 . . . . 0.0 109.932 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.44 90.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -58.39 -40.53 82.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.038 -1.039 . . . . 0.0 108.856 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 75.1 tt0 -61.73 -40.24 94.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.933 -1.104 . . . . 0.0 109.989 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.9 mtt -68.58 -40.01 80.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.864 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.73 -40.17 94.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.781 . . . . 0.0 110.961 -178.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 48.2 p30 -68.1 -16.79 64.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.23 -1.544 . . . . 0.0 109.454 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 7.9 tp-100 -81.55 -0.26 41.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.469 -0.769 . . . . 0.0 109.185 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.21 24.43 76.43 Favored Glycine 0 N--CA 1.494 2.509 0 O-C-N 120.935 -1.103 . . . . 0.0 110.972 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.5 mt -80.0 141.57 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.752 -1.44 . . . . 0.0 108.992 179.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.9 m -55.87 140.11 43.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.339 -0.851 . . . . 0.0 109.748 -178.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -58.1 -44.87 87.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.528 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.35 -46.7 85.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.872 -1.142 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 83.2 m -67.36 -40.37 85.76 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.439 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.81 -52.09 66.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.437 -0.789 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -69.6 -39.41 77.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.848 -1.157 . . . . 0.0 109.795 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.73 96.72 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.862 -1.149 . . . . 0.0 109.371 -179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -62.31 -45.3 93.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.503 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.3 t -67.82 -45.13 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.215 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.51 -33.29 73.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.191 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.61 -47.95 24.98 Favored Glycine 0 C--N 1.296 -1.674 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.03 -40.22 71.87 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.331 . . . . 0.0 109.443 179.516 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 135' ' ' ALA . 63.7 m-85 -100.17 137.95 37.91 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.062 -1.023 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.17 62.15 5.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.972 -1.08 . . . . 0.0 108.652 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.0 159.96 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -74.4 130.65 40.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 109.8 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.48 85.99 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.151 -0.968 . . . . 0.0 109.592 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.1 p -65.63 -40.03 92.09 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.566 -0.709 . . . . 0.0 110.588 -179.18 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 m -62.11 -48.52 79.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.906 -1.121 . . . . 0.0 109.404 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.9 -45.57 92.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.947 -1.096 . . . . 0.0 109.834 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -59.68 -51.75 68.44 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.384 -0.823 . . . . 0.0 110.687 -178.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 41.8 t0 -61.38 -40.41 94.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.015 -1.053 . . . . 0.0 109.766 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -67.2 -39.81 86.39 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.922 -0.486 . . . . 0.0 110.695 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.45 -48.69 79.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.862 -1.149 . . . . 0.0 109.53 -178.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -61.06 -39.87 91.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.858 -1.151 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.34 -40.2 93.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.034 -1.041 . . . . 0.0 110.638 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.67 -13.18 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 120.792 -1.193 . . . . 0.0 109.967 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.67 -39.6 85.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.959 -1.088 . . . . 0.0 109.93 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -73.68 -10.41 59.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.638 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -110.43 137.54 48.01 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.296 -0.878 . . . . 0.0 108.988 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.63 153.65 27.33 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.798 -179.311 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 67.5 mttt -51.16 -54.99 32.14 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.26 -0.9 . . . . 0.0 109.84 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 46.5 Cg_exo -30.64 -50.67 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 122.434 2.09 . . . . 0.0 114.938 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 36.8 p-10 -89.49 2.77 54.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.834 -1.166 . . . . 0.0 111.809 -177.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -58.27 -40.04 80.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.31 -1.494 . . . . 0.0 109.302 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.13 80.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.82 -40.05 66.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.472 -0.768 . . . . 0.0 109.871 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.37 -34.97 76.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.529 -0.732 . . . . 0.0 111.029 -178.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.79 -39.87 87.94 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.518 -1.364 . . . . 0.0 111.548 -178.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 120.543 -1.348 . . . . 0.0 111.125 -178.446 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.462 HD23 ' OD1' ' A' ' 159' ' ' ASP . 63.4 tp . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.802 0.334 . . . . 0.0 111.785 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -67.37 -31.24 71.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.724 -1.235 . . . . 0.0 110.453 -178.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.401 -1.437 . . . . 0.0 108.892 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.93 -40.51 93.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.499 -0.751 . . . . 0.0 109.118 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.1 t-105 -60.58 -50.01 75.25 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.548 0.689 . . . . 0.0 109.31 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -59.09 -39.73 83.07 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.309 -0.87 . . . . 0.0 108.898 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.78 -6.55 59.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.09 154.2 41.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 109.358 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 p -73.59 162.81 28.81 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.001 -1.062 . . . . 0.0 109.133 -179.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 94.8 m-20 -60.03 -39.88 87.41 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.551 -0.718 . . . . 0.0 109.679 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.3 p -60.07 -40.03 88.1 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.011 -1.055 . . . . 0.0 109.588 -179.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -62.38 -41.29 98.53 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.827 -1.171 . . . . 0.0 110.41 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 81.7 mtm180 -66.63 -40.12 88.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.664 -1.272 . . . . 0.0 109.479 -179.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -63.74 -39.95 95.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.495 -0.753 . . . . 0.0 110.175 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 tp -60.18 -46.43 89.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.832 -1.167 . . . . 0.0 108.198 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.53 93.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.784 -1.197 . . . . 0.0 108.976 178.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -61.87 -39.93 93.62 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.495 -0.882 . . . . 0.0 108.745 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -61.23 -38.34 86.31 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.728 -0.608 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -90.09 -0.95 57.86 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.153 -0.967 . . . . 0.0 113.204 -177.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 7.0 tp -74.91 -38.55 3.06 Favored Pre-proline 0 N--CA 1.501 2.115 0 O-C-N 119.538 -1.977 . . . . 0.0 110.811 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 37.7 Cg_exo -59.56 -30.73 93.12 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.076 1.851 . . . . 0.0 112.124 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.98 -49.96 18.2 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.169 -0.957 . . . . 0.0 108.793 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.427 HG13 ' CD2' ' A' ' 149' ' ' TYR . 28.8 t -69.85 -40.22 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.892 -1.13 . . . . 0.0 108.139 179.306 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -63.16 -48.11 79.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 108.968 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.4 73.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 110.041 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.24 85.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 109.258 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.7 -45.11 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.87 -40.31 92.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.469 -0.77 . . . . 0.0 109.529 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.0 mmm -60.69 -40.46 92.24 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.364 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.88 -38.76 89.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.096 -1.003 . . . . 0.0 109.729 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -37.54 80.67 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.495 -178.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.06 -6.17 16.15 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.34 31.28 68.71 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.356 -0.84 . . . . 0.0 111.18 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.0 141.92 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.838 -1.389 . . . . 0.0 108.804 178.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -50.74 134.7 24.68 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 109.271 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.3 p -59.07 -42.89 91.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.652 -0.655 . . . . 0.0 110.326 -179.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.86 -44.86 91.13 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.346 -179.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.3 m -70.04 -44.84 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.856 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 0.0 110.567 -179.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.38 -40.19 89.56 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.929 -1.107 . . . . 0.0 109.211 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.78 98.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 0.0 108.642 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.4 m -62.73 -40.1 96.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.512 -0.743 . . . . 0.0 109.433 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.35 -46.26 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.905 . . . . 0.0 109.38 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.17 -33.92 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.666 -0.646 . . . . 0.0 109.519 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.12 -42.52 76.2 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -75.4 -45.32 39.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.236 . . . . 0.0 109.289 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.4 m-85 -101.34 133.9 45.24 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.504 -0.747 . . . . 0.0 109.23 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.31 64.33 6.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.819 -1.176 . . . . 0.0 109.453 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.15 158.55 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 p -71.86 131.17 42.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.092 -1.005 . . . . 0.0 109.568 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.28 84.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.174 -0.954 . . . . 0.0 108.97 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -63.8 -39.89 95.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.585 -0.697 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.3 m -63.22 -49.75 72.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.683 -1.261 . . . . 0.0 109.585 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.64 -43.5 98.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.596 -0.69 . . . . 0.0 110.575 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 146' ' ' ARG . 44.4 ttt-85 -59.86 -46.74 88.32 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.599 -178.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.12 -42.58 95.06 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.202 -0.936 . . . . 0.0 110.815 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.82 -35.2 74.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.081 -1.012 . . . . 0.0 110.287 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . 0.427 ' CD2' HG13 ' A' ' 114' ' ' VAL . 27.5 t80 -59.77 -49.6 77.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.109 -177.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -65.46 -40.07 92.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.267 -0.896 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -40.74 90.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.001 -1.062 . . . . 0.0 111.299 -179.112 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.69 -10.74 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.642 -1.286 . . . . 0.0 110.009 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -59.74 -40.02 86.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.51 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -79.76 -6.52 57.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.641 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -104.43 143.91 32.37 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.22 -0.925 . . . . 0.0 109.845 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -56.98 141.62 44.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -55.82 -42.39 95.86 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 110.505 -178.382 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 25.1 Cg_exo -61.88 -31.68 84.96 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.447 1.432 . . . . 0.0 112.035 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.462 ' OD1' HD23 ' A' ' 92' ' ' LEU . 15.1 t70 -85.3 -2.07 57.66 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.303 -0.873 . . . . 0.0 110.369 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 30.9 m0 -59.16 -39.9 83.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 0.0 109.367 -179.334 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.87 73.67 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.788 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.89 -40.3 40.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 109.845 179.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.69 78.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.528 -0.733 . . . . 0.0 110.392 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.9 -37.1 83.74 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.528 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.955 -1.091 . . . . 0.0 109.349 179.718 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -67.21 -31.51 71.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.493 -0.754 . . . . 0.0 109.839 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.91 -1.118 . . . . 0.0 108.593 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -60.05 -42.05 93.63 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 9.2 t-105 -61.01 -52.65 64.1 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.674 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 51.1 t0 -59.83 -38.9 83.34 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.315 -0.865 . . . . 0.0 109.569 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -86.04 -1.94 57.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.42 -179.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.91 153.03 44.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.01 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.6 m -73.65 165.9 24.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.863 -1.148 . . . . 0.0 109.915 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 19.6 p-10 -59.94 -40.09 87.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.735 -0.603 . . . . 0.0 110.11 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -62.69 -41.02 98.89 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 109.382 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.18 -43.01 99.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.947 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 104' ' ' ARG . 53.4 mtm-85 -68.6 -39.81 80.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.071 -1.018 . . . . 0.0 108.265 178.857 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -60.0 -41.22 91.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.407 -0.808 . . . . 0.0 109.106 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -50.02 75.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.094 -1.004 . . . . 0.0 109.838 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.505 -0.747 . . . . 0.0 109.403 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.97 -39.8 86.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.414 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.43 -39.59 92.27 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.541 -0.724 . . . . 0.0 111.611 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -88.54 -3.3 58.84 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.107 -0.996 . . . . 0.0 112.825 -177.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 5.7 tp -75.99 -38.26 2.41 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 120.065 -1.647 . . . . 0.0 111.841 -177.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.5 Cg_exo -65.45 -31.67 51.08 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.919 1.746 . . . . 0.0 111.897 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.07 65.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.048 -1.033 . . . . 0.0 110.361 -179.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.91 -46.47 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.739 -1.226 . . . . 0.0 108.974 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.5 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 109.101 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.63 99.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.375 -0.828 . . . . 0.0 109.496 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.35 95.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.524 -0.735 . . . . 0.0 109.818 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 37.4 t0 -60.0 -40.59 89.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.467 -0.771 . . . . 0.0 109.642 -179.402 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -60.62 -41.68 95.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 110.265 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.2 mmt -63.77 -40.04 95.73 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.49 -39.89 92.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.903 . . . . 0.0 110.701 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.09 -40.1 88.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.816 -1.178 . . . . 0.0 109.962 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.96 0.02 8.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.97 66.79 Favored Glycine 0 N--CA 1.5 2.902 0 O-C-N 121.211 -0.931 . . . . 0.0 111.575 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.63 146.99 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.085 -1.244 . . . . 0.0 109.64 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -55.3 137.97 46.44 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.029 -1.045 . . . . 0.0 109.653 -179.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 p -59.98 -43.63 94.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.567 -0.708 . . . . 0.0 110.648 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -59.91 -46.41 89.45 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.946 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.3 m -69.93 -40.27 75.63 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.338 -0.851 . . . . 0.0 109.617 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.392 -0.818 . . . . 0.0 110.447 -179.139 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -68.15 -39.96 82.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.037 . . . . 0.0 109.671 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.98 96.09 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -0.976 . . . . 0.0 108.979 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.3 m -60.99 -49.47 77.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 0.0 109.792 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.89 -48.5 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.03 -34.04 72.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.636 -0.665 . . . . 0.0 109.44 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.34 -51.14 18.44 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.26 -42.51 79.53 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.284 -1.127 . . . . 0.0 109.762 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.489 ' O ' ' O ' ' A' ' 135' ' ' ALA . 77.7 m-85 -94.5 141.77 28.2 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.128 . . . . 0.0 109.173 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.01 59.24 3.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.854 -1.154 . . . . 0.0 109.689 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.57 157.81 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.451 -0.781 . . . . 0.0 109.132 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 p -76.33 136.07 39.56 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.561 -0.712 . . . . 0.0 109.503 -179.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.21 88.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.3 -0.875 . . . . 0.0 111.256 -179.119 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 t -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.096 -1.003 . . . . 0.0 111.354 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -63.66 -50.35 69.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.904 -1.122 . . . . 0.0 111.081 -178.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.93 -44.93 94.06 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.384 -0.823 . . . . 0.0 109.887 -178.731 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -59.92 -44.05 94.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.145 -0.972 . . . . 0.0 110.475 -178.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.71 -40.54 92.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.554 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.24 -38.92 82.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.695 -0.628 . . . . 0.0 111.071 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -58.45 -43.98 89.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.218 -0.926 . . . . 0.0 110.404 -177.353 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -70.02 -38.94 76.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.78 -1.2 . . . . 0.0 109.824 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.16 -39.81 87.71 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.65 -11.33 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.819 -1.175 . . . . 0.0 109.817 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -58.15 -38.62 76.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.0 109.627 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.48 -5.89 53.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 110.33 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -110.81 150.34 29.27 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 179.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -68.13 152.98 44.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.48 -0.762 . . . . 0.0 109.839 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 0.1 OUTLIER -51.37 -49.9 79.41 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.991 -1.068 . . . . 0.0 111.544 -179.559 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -60.95 -24.94 80.56 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 CA-C-N 120.753 1.305 . . . . 0.0 112.957 -179.368 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.13 -6.74 58.95 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.955 -1.091 . . . . 0.0 110.205 -179.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.1 m0 -58.87 -40.01 83.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.9 82.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.067 -1.021 . . . . 0.0 109.587 -179.133 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.36 65.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -0.942 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.13 74.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.11 -18.65 63.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.963 . . . . 0.0 110.422 -179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.497 1.9 0 O-C-N 120.912 -1.118 . . . . 0.0 108.868 -179.868 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -67.96 -23.58 65.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.412 -0.805 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -59.74 -45.97 90.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.905 -1.122 . . . . 0.0 110.048 -178.564 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -39.31 93.85 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 8.6 t-105 -60.01 -48.47 81.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.514 -0.741 . . . . 0.0 109.399 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -59.75 -40.2 87.34 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -87.12 -2.07 58.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.743 . . . . 0.0 109.539 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.67 155.15 39.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 108.799 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 t -70.06 155.12 41.05 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.7 -39.89 90.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.373 -0.829 . . . . 0.0 110.0 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.03 -39.86 91.37 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.369 -0.832 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.79 -40.65 97.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.094 -1.004 . . . . 0.0 110.446 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -66.3 -39.95 89.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.0 109.222 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.93 92.25 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.581 -0.7 . . . . 0.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.99 -46.55 89.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.245 -0.909 . . . . 0.0 108.684 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.09 84.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.175 -0.953 . . . . 0.0 109.073 179.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.95 -40.89 90.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.289 -0.882 . . . . 0.0 110.36 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -66.18 -39.99 90.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.502 -0.749 . . . . 0.0 110.605 -178.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 114' ' ' VAL . 64.8 m95 -81.44 -10.09 59.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.191 -0.943 . . . . 0.0 111.372 -178.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.2 tp -73.7 -46.95 7.12 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.369 -1.457 . . . . 0.0 111.807 -178.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.0 Cg_endo -67.19 -25.42 43.24 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 121.725 1.616 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.27 62.32 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.069 . . . . 0.0 109.131 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 110' ' ' TRP . 61.5 t -68.3 -40.28 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.199 -0.938 . . . . 0.0 109.102 179.61 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.0 -40.24 90.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.996 -1.065 . . . . 0.0 109.964 -179.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.7 89.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.32 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 46.3 t0 -59.2 -40.97 87.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.78 179.518 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.29 -44.39 95.41 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.326 -0.95 . . . . 0.0 108.818 179.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.02 -40.0 94.24 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.616 -0.678 . . . . 0.0 110.895 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.927 . . . . 0.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.59 -37.96 83.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.28 -0.888 . . . . 0.0 109.797 -179.285 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.5 -3.69 12.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.626 -0.671 . . . . 0.0 109.408 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.24 30.73 62.34 Favored Glycine 0 N--CA 1.499 2.86 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.111 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.51 147.17 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -1.105 . . . . 0.0 108.703 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.3 t -58.36 139.45 55.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.291 -178.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 p -56.51 -45.21 81.2 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 -179.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.91 -46.34 89.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.989 -1.069 . . . . 0.0 108.649 -179.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.4 m -67.27 -45.31 77.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 109.058 179.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.01 75.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.433 -0.792 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.71 -39.81 80.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.188 -0.945 . . . . 0.0 109.842 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.757 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.9 m -63.6 -46.45 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 109.143 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.52 -42.8 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.316 -0.865 . . . . 0.0 108.671 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.39 -29.41 70.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 178.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.61 -53.45 9.92 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.64 -1.784 . . . . 0.0 108.64 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -67.84 -40.95 83.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' ' O ' ' A' ' 135' ' ' ALA . 85.7 m-85 -99.5 133.57 43.63 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.927 -1.108 . . . . 0.0 109.367 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -81.1 61.25 4.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 108.835 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -130.18 159.64 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.217 -0.927 . . . . 0.0 109.83 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -73.25 129.48 38.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.99 85.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.017 -1.052 . . . . 0.0 109.114 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.3 m -63.41 -40.17 96.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 110.991 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.4 m -64.76 -50.69 65.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 -179.303 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.22 -40.18 89.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.418 -0.801 . . . . 0.0 110.543 -179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -60.51 -48.71 80.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 110.199 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 147' ' ' ASP . 50.3 t0 -60.64 -45.72 93.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.0 110.271 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.414 -0.804 . . . . 0.0 109.792 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.9 -43.92 94.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 0.0 110.033 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.78 -36.88 76.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.646 -1.284 . . . . 0.0 108.631 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.43 -40.35 90.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 110.781 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.02 -15.02 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 110.009 -179.038 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.07 -39.17 81.3 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.477 -0.764 . . . . 0.0 110.288 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -77.35 -9.53 58.9 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.943 -178.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -111.88 144.47 41.14 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.411 -0.805 . . . . 0.0 110.848 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -59.87 144.87 47.63 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.906 0.86 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.535 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 33.3 mttp -52.09 -50.09 80.76 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.472 -0.768 . . . . 0.0 112.598 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 9.6 Cg_endo -51.88 -30.48 38.99 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.407 1.405 . . . . 0.0 112.825 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 4.5 p30 -89.35 -1.07 57.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.228 -0.92 . . . . 0.0 109.699 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 157' ' ' LYS . 28.5 m0 -58.79 -39.75 82.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.106 -0.996 . . . . 0.0 109.613 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.66 92.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.837 -1.164 . . . . 0.0 108.002 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.586 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.09 -39.4 75.59 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.654 -0.654 . . . . 0.0 109.27 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.63 87.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.271 -179.387 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 32.2 mt -74.55 -2.36 25.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.028 -1.045 . . . . 0.0 110.702 -178.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.9 p . . . . . 0 N--CA 1.492 1.653 0 O-C-N 120.721 -1.237 . . . . 0.0 109.187 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 mtm . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.39 140.09 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.303 -0.873 . . . . 0.0 109.181 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.14 -110.09 0.15 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.426 -0.796 . . . . 0.0 110.142 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -166.29 70.07 1.14 Allowed Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -69.89 150.01 66.87 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 121.499 1.466 . . . . 0.0 112.046 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.7 m -60.7 141.59 56.68 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.652 -0.655 . . . . 0.0 110.823 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.6 mt -91.32 124.89 35.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 108.483 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 44.8 mt-10 -117.94 -108.39 0.37 Allowed 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.36 -0.838 . . . . 0.0 111.375 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.468 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -53.23 144.43 15.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.593 -0.692 . . . . 0.0 109.356 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.623 ' ND1' ' NE ' ' A' ' 89' ' ' ARG . 46.2 m-70 -147.06 64.16 1.17 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.136 -0.978 . . . . 0.0 111.66 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.51 -39.57 91.46 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -121.76 146.94 46.55 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -68.06 122.0 17.31 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.79 -1.194 . . . . 0.0 109.052 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.718 ' CD ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -88.92 -23.26 22.75 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.52 -0.738 . . . . 0.0 109.071 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -59.91 -37.94 80.9 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.274 -0.891 . . . . 0.0 109.805 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.62 97.6 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.128 -0.982 . . . . 0.0 108.492 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.0 tp -61.67 -46.77 88.3 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -69.17 -30.45 68.67 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.413 -0.805 . . . . 0.0 109.697 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 m -59.98 -40.24 88.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.011 -1.055 . . . . 0.0 109.344 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -65.13 -40.41 94.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.199 -0.938 . . . . 0.0 108.709 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.588 ' NE1' ' NH1' ' A' ' 104' ' ' ARG . 5.2 t-105 -60.17 -49.72 76.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.45 -0.781 . . . . 0.0 108.928 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' C ' HH22 ' A' ' 104' ' ' ARG . 64.4 t0 -53.69 -33.2 54.62 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.196 -0.94 . . . . 0.0 109.961 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -87.32 -3.15 59.02 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.331 -0.855 . . . . 0.0 109.8 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.59 150.75 46.73 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.324 -0.86 . . . . 0.0 109.339 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.8 t -71.04 159.93 33.84 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.118 -0.989 . . . . 0.0 109.191 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.01 -39.1 84.66 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.547 -0.72 . . . . 0.0 109.927 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.8 t -60.66 -40.7 93.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.036 -1.04 . . . . 0.0 109.763 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.87 -39.93 91.04 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.315 -0.866 . . . . 0.0 109.1 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.588 ' NH1' ' NE1' ' A' ' 96' ' ' TRP . 32.2 mtt-85 -60.54 -40.08 90.22 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.154 -0.966 . . . . 0.0 108.824 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -60.12 -41.87 93.56 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.549 -0.72 . . . . 0.0 110.177 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.21 -50.0 75.4 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.051 -1.031 . . . . 0.0 109.364 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.04 93.71 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.33 -0.856 . . . . 0.0 109.891 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.0 -39.67 86.56 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.462 -0.774 . . . . 0.0 109.612 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -64.28 -40.05 95.17 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.478 ' O ' HG23 ' A' ' 114' ' ' VAL . 88.7 m95 -88.88 -4.16 58.55 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 120.889 -1.132 . . . . 0.0 113.711 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 8.0 tp -76.33 -38.41 2.29 Favored Pre-proline 0 N--CA 1.506 2.369 0 O-C-N 119.561 -1.962 . . . . 0.0 111.525 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 11.9 Cg_exo -69.27 -31.55 22.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.55 -40.0 57.41 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.914 -1.116 . . . . 0.0 110.324 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 110' ' ' TRP . 31.4 t -67.07 -47.41 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.845 -1.16 . . . . 0.0 108.771 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.91 -40.17 94.66 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.111 -0.993 . . . . 0.0 109.612 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.39 92.88 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.684 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.17 90.1 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.312 -0.868 . . . . 0.0 110.196 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -59.52 -42.07 91.41 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.9 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 99.0 mt-10 -63.2 -39.99 96.21 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.512 -0.742 . . . . 0.0 109.408 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.7 mmm -62.4 -40.03 95.17 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.844 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.6 -39.55 94.67 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.22 -0.925 . . . . 0.0 111.235 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.6 p30 -65.17 -18.64 65.47 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.77 -1.206 . . . . 0.0 110.867 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.53 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 59.1 tt0 -81.15 -4.04 54.07 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 108.974 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.26 25.16 75.13 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.878 -1.153 . . . . 0.0 110.617 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.3 mt -79.33 147.59 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.261 . . . . 0.0 108.571 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.9 p -56.46 141.53 42.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.21 -0.931 . . . . 0.0 109.097 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -59.36 -39.98 85.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.404 -0.81 . . . . 0.0 110.264 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -58.92 -47.73 83.97 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.16 -0.962 . . . . 0.0 109.235 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -69.01 -41.9 77.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.194 -0.942 . . . . 0.0 109.498 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.459 -0.776 . . . . 0.0 110.204 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -69.29 -40.12 77.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.002 -1.061 . . . . 0.0 110.152 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.39 97.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.794 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.7 m -62.35 -46.44 88.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.084 -1.01 . . . . 0.0 110.074 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.35 -45.88 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.941 -1.099 . . . . 0.0 108.632 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.35 -33.54 73.8 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.525 -0.734 . . . . 0.0 109.033 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.53 -49.11 26.29 Favored Glycine 0 C--N 1.295 -1.701 0 N-CA-C 108.725 -1.75 . . . . 0.0 108.725 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -71.81 -40.28 69.26 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.177 -1.19 . . . . 0.0 110.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.9 m-85 -99.27 137.84 37.21 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.085 -1.009 . . . . 0.0 108.843 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -84.81 61.02 6.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.835 -1.165 . . . . 0.0 109.165 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.95 160.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.474 -0.766 . . . . 0.0 109.16 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.9 t -72.65 128.38 35.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.191 -0.943 . . . . 0.0 109.928 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.73 91.93 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.044 -1.035 . . . . 0.0 110.805 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 71.9 m -62.01 -40.06 94.37 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.916 -1.115 . . . . 0.0 110.362 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 57.7 m -62.81 -49.12 76.21 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.231 -0.918 . . . . 0.0 110.358 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.55 -40.15 90.52 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.327 -0.858 . . . . 0.0 110.148 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.21 -49.19 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.953 -1.092 . . . . 0.0 109.655 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.51 -41.15 93.76 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.156 -0.965 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -68.28 -37.27 80.51 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -59.89 -47.39 85.97 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.156 -0.965 . . . . 0.0 110.271 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -69.78 -37.5 76.39 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.957 -1.09 . . . . 0.0 109.954 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.105 -0.997 . . . . 0.0 110.976 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.99 -10.95 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.45 -1.406 . . . . 0.0 109.956 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -60.12 -38.67 83.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.29 -0.881 . . . . 0.0 109.553 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -75.89 -11.51 59.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.196 -0.94 . . . . 0.0 110.241 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.86 155.92 18.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.939 -1.101 . . . . 0.0 110.164 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -52.19 149.99 4.91 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.584 0.707 . . . . 0.0 109.134 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.9 ttpp -66.49 -40.7 35.45 Favored Pre-proline 0 C--N 1.299 -1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 111.992 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 156' ' ' ALA . 97.0 Cg_endo -80.13 -21.88 7.61 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.713 1.609 . . . . 0.0 113.952 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 35.9 p-10 -82.12 4.88 21.47 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.545 -1.347 . . . . 0.0 108.856 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 31.5 m0 -58.65 -40.75 84.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.97 89.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.337 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.611 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -73.36 -39.98 64.76 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.352 -0.843 . . . . 0.0 109.34 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.34 -28.25 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.531 -0.73 . . . . 0.0 110.686 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 46.7 mt -73.22 -9.18 58.44 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.879 -1.138 . . . . 0.0 109.6 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.3 p -72.56 -7.86 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 120.989 -1.07 . . . . 0.0 108.935 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -80.96 149.39 29.38 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.302 -0.874 . . . . 0.0 109.522 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.72 -135.62 0.01 OUTLIER Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -79.14 166.88 21.77 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.269 -1.136 . . . . 0.0 108.626 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -42.71 140.88 2.09 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.46 126.98 31.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -1.144 . . . . 0.0 109.887 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 32.1 t -63.7 -41.52 98.11 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.295 -0.878 . . . . 0.0 109.233 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 174' ' ' ASN . 19.4 tpt180 -67.33 129.23 39.23 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.43 -9.78 34.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.293 -0.879 . . . . 0.0 109.995 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.441 ' OD1' ' OXT' ' A' ' 174' ' ' ASN . 34.1 p-10 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.525 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.4 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.634 0.73 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.7 mt -59.63 141.22 16.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.357 -0.839 . . . . 0.0 109.839 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.19 149.62 47.32 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.811 -1.181 . . . . 0.0 108.385 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.792 ' CD ' ' H ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -59.96 149.15 74.88 Favored Pre-proline 0 N--CA 1.485 1.283 0 C-N-CA 118.288 -1.365 . . . . 0.0 109.9 -179.101 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -70.43 150.02 63.51 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 122.763 2.309 . . . . 0.0 111.635 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 42.3 m -69.11 148.24 50.26 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.9 mt -138.04 114.06 10.0 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.202 -1.561 . . . . 0.0 110.175 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -172.65 -55.11 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.088 -1.008 . . . . 0.0 110.623 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -108.33 111.03 22.76 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.288 -0.883 . . . . 0.0 109.927 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.637 ' NE2' ' NH1' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -175.8 114.84 0.13 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.14 -0.975 . . . . 0.0 109.033 179.456 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -70.8 -17.54 62.76 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' CB ' ' A' ' 85' ' ' HIS . 52.5 p90 -93.53 147.12 23.27 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.454 0.645 . . . . 0.0 109.515 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -71.03 126.63 30.09 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.945 -1.102 . . . . 0.0 108.095 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.637 ' NH1' ' NE2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -69.37 -38.46 78.07 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.447 -0.783 . . . . 0.0 111.007 -178.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.92 -39.06 84.18 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.881 -1.137 . . . . 0.0 111.644 -178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.49 -45.8 92.46 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 120.983 -1.073 . . . . 0.0 110.728 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.8 tp -67.24 -49.66 63.57 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -68.66 -29.78 68.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.689 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.4 t -60.15 -40.67 90.65 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.372 -1.455 . . . . 0.0 109.14 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.503 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.3 t-105 -60.13 -43.37 95.73 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.283 -0.886 . . . . 0.0 109.617 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -59.15 -39.71 83.28 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -80.42 -6.79 58.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.211 -0.931 . . . . 0.0 109.184 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.62 153.52 42.86 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.093 -1.004 . . . . 0.0 109.501 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.4 p -75.88 164.82 25.82 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.041 -1.037 . . . . 0.0 110.488 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 30.4 p-10 -60.05 -40.19 88.56 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.512 -0.743 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 93.5 p -60.03 -39.58 86.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.314 -0.866 . . . . 0.0 110.0 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.64 -40.24 88.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.264 -0.898 . . . . 0.0 111.149 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.2 mtm180 -64.52 -41.39 96.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.56 -1.338 . . . . 0.0 110.99 -179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.53 -37.35 77.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.643 -1.285 . . . . 0.0 109.802 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.18 -46.9 88.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.904 -1.122 . . . . 0.0 108.685 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -40.11 94.45 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.77 -38.19 84.43 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.37 -0.831 . . . . 0.0 109.236 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.37 -37.37 80.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.162 -0.961 . . . . 0.0 111.144 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -86.71 -7.93 57.86 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.929 -1.107 . . . . 0.0 113.222 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 26.0 tp -76.82 -36.21 1.58 Allowed Pre-proline 0 N--CA 1.506 2.371 0 O-C-N 119.502 -1.998 . . . . 0.0 112.463 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.3 Cg_exo -67.69 -32.71 29.74 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.62 2.213 . . . . 0.0 112.165 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.75 60.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -0.942 . . . . 0.0 109.717 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -70.78 -41.97 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.168 -0.958 . . . . 0.0 108.854 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -63.35 -43.69 96.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.056 -1.027 . . . . 0.0 109.685 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.13 -40.91 86.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.399 -0.813 . . . . 0.0 110.563 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.4 90.35 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.185 -0.947 . . . . 0.0 110.373 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.09 -41.48 92.56 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.928 -1.107 . . . . 0.0 109.378 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.8 -45.65 88.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.208 -0.932 . . . . 0.0 109.595 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.3 mtt -64.58 -40.14 94.99 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.949 -1.094 . . . . 0.0 110.012 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.67 -36.94 84.5 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.59 -0.694 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.1 -35.92 76.28 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.11 -0.994 . . . . 0.0 110.34 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.97 -1.33 9.37 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.131 -0.981 . . . . 0.0 108.79 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 36.06 55.43 Favored Glycine 0 N--CA 1.493 2.451 0 O-C-N 121.352 -0.842 . . . . 0.0 111.263 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.85 145.35 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.8 t -53.09 130.04 32.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.95 -1.094 . . . . 0.0 109.518 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -54.11 -44.59 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.437 -0.789 . . . . 0.0 110.48 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -59.81 -47.63 84.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -0.893 . . . . 0.0 109.045 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.5 m -66.16 -44.81 83.03 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.92 -51.49 69.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.434 -0.791 . . . . 0.0 110.414 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -66.84 -39.34 87.58 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.869 -1.132 . . . . 0.0 109.927 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.61 88.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.447 -0.783 . . . . 0.0 109.945 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -61.77 -40.28 94.63 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.053 -1.029 . . . . 0.0 110.128 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.06 -46.81 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.5 -31.22 72.32 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.315 -0.866 . . . . 0.0 108.712 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -68.83 -50.82 33.03 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 109.144 -1.583 . . . . 0.0 109.144 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.54 -44.09 45.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.972 . . . . 0.0 110.073 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 135' ' ' ALA . 84.2 m-85 -93.7 139.26 31.02 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -83.93 63.13 7.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.921 -1.112 . . . . 0.0 109.508 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.13 156.97 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.2 m -74.41 131.61 41.23 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.059 -1.026 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.09 84.9 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.639 0.733 . . . . 0.0 109.051 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 t -67.47 -42.1 83.56 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.583 -0.698 . . . . 0.0 110.474 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.7 m -65.07 -47.5 77.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.441 -1.412 . . . . 0.0 109.778 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.5 -42.15 95.78 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.283 -0.886 . . . . 0.0 109.382 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.04 -50.21 74.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.148 -0.97 . . . . 0.0 110.585 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -64.25 -43.03 96.15 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.994 -1.066 . . . . 0.0 110.225 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -61.99 -39.12 91.14 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.513 -0.742 . . . . 0.0 109.701 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -58.93 -47.07 86.37 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.834 -1.166 . . . . 0.0 110.368 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -60.54 -39.91 89.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.998 -1.064 . . . . 0.0 110.64 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -60.97 -40.5 93.63 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.142 -0.974 . . . . 0.0 111.178 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.48 -8.46 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.022 -1.049 . . . . 0.0 110.542 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.48 -38.66 81.41 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.309 -0.869 . . . . 0.0 109.929 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.93 -3.92 44.23 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.613 -0.68 . . . . 0.0 109.437 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.47 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 66.1 m-85 -110.6 142.68 42.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.608 -0.682 . . . . 0.0 110.275 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.534 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.57 147.98 25.42 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.569 -0.707 . . . . 0.0 109.991 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 33.5 mmtm -60.24 -39.8 71.58 Favored Pre-proline 0 N--CA 1.502 2.152 0 O-C-N 120.818 -1.176 . . . . 0.0 111.403 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 34.5 Cg_exo -59.8 -36.65 90.55 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.271 1.981 . . . . 0.0 112.993 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 6.3 p-10 -89.06 0.4 56.73 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.639 -1.288 . . . . 0.0 111.046 -179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.3 m0 -59.38 -40.13 85.56 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.668 -1.27 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.09 86.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.856 -1.152 . . . . 0.0 109.614 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.591 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.08 -39.91 75.32 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.355 -0.84 . . . . 0.0 109.591 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.31 -39.96 88.83 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 120.987 -1.071 . . . . 0.0 110.409 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 98.6 mt -71.04 -1.79 13.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.203 -0.936 . . . . 0.0 110.452 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 162' ' ' ALA . 7.4 p -67.3 -36.1 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.939 -1.1 . . . . 0.0 109.681 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -82.36 165.72 20.07 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.21 -0.931 . . . . 0.0 109.701 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -176.06 19.2 0.04 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 48.1 mtm-85 -84.07 131.17 34.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.23 -1.159 . . . . 0.0 109.048 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -171.52 -119.83 0.53 Allowed Glycine 0 N--CA 1.496 2.679 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.29 151.23 39.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.21 -1.17 . . . . 0.0 108.868 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.1 t -79.15 109.59 13.61 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.218 -0.926 . . . . 0.0 110.596 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -64.78 -39.44 93.61 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.461 ' CD ' ' H ' ' A' ' 173' ' ' ARG . 0.0 OUTLIER -90.5 144.2 26.01 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.356 -0.84 . . . . 0.0 109.242 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 34.8 m120 . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.516 179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.571 ' O ' ' O ' ' A' ' 77' ' ' ILE . 97.7 mtp . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.571 ' O ' ' O ' ' A' ' 76' ' ' MET . 43.2 mt 52.14 129.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.405 0 CA-C-O 122.198 0.999 . . . . 0.0 110.264 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 153.44 43.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 119.726 -1.859 . . . . 0.0 108.393 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' HG2' ' H ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -60.0 145.41 84.75 Favored Pre-proline 0 N--CA 1.477 0.884 0 O-C-N 119.695 -1.878 . . . . 0.0 106.824 179.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -69.31 149.25 69.53 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.21 1.273 . . . . 0.0 110.884 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.503 ' C ' HD22 ' A' ' 82' ' ' LEU . 33.3 m -101.38 138.62 38.15 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 119.645 -0.822 . . . . 0.0 108.833 178.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.3 mm? -115.76 100.11 7.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.788 -1.195 . . . . 0.0 108.935 177.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -149.83 -108.97 0.07 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.711 -1.243 . . . . 0.0 110.109 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.18 139.55 57.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.403 ' CE1' ' CG ' ' A' ' 89' ' ' ARG . 33.9 m-70 -142.62 106.23 4.65 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 119.282 -0.967 . . . . 0.0 112.35 -178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -98.96 -1.11 40.72 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -145.6 -163.72 1.79 Allowed 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -115.19 125.04 52.92 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 121.094 -1.004 . . . . 0.0 110.394 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.541 ' H ' ' HD3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -60.18 -43.19 96.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.087 -1.008 . . . . 0.0 111.106 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.447 ' O ' ' OG ' ' A' ' 94' ' ' SER . 79.8 mm-40 -60.18 -41.37 92.76 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.768 -1.208 . . . . 0.0 110.428 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.27 84.45 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.824 -1.173 . . . . 0.0 109.766 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.84 -54.92 17.56 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.179 -0.951 . . . . 0.0 109.929 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.003 -1.061 . . . . 0.0 111.12 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 70.7 m -60.02 -39.64 86.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.912 -1.117 . . . . 0.0 109.764 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.23 -40.36 93.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.7 -1.25 . . . . 0.0 109.365 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.5 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.29 -45.64 92.64 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.016 -1.053 . . . . 0.0 108.788 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 63.0 t0 -59.17 -39.78 83.58 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.439 -0.788 . . . . 0.0 109.496 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -85.5 -4.01 59.03 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.604 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.87 150.52 48.47 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.423 -0.798 . . . . 0.0 109.25 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 79.7 p -71.22 161.89 30.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.664 -1.272 . . . . 0.0 109.993 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.12 -40.09 88.51 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.954 -1.091 . . . . 0.0 110.421 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -59.01 -39.49 82.02 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.817 -1.177 . . . . 0.0 109.102 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.41 -40.36 93.29 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.059 -1.026 . . . . 0.0 109.784 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.502 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 94.5 mtt180 -67.73 -40.72 84.16 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.037 -1.039 . . . . 0.0 109.471 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.434 ' NH1' ' HG3' ' A' ' 105' ' ' ARG . 37.6 ttm-85 -63.42 -39.73 95.29 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.03 -43.26 95.43 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.326 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.61 98.26 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.941 -1.099 . . . . 0.0 109.81 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -61.13 -39.66 90.86 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.345 -0.847 . . . . 0.0 109.268 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -67.39 -33.99 76.33 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.591 -0.693 . . . . 0.0 111.272 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 62.2 m95 -87.27 -10.47 52.3 Favored 'General case' 0 N--CA 1.516 2.852 0 O-C-N 120.645 -1.285 . . . . 0.0 113.551 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 10.1 tp -75.85 -38.64 2.59 Favored Pre-proline 0 N--CA 1.512 2.645 0 O-C-N 119.62 -1.925 . . . . 0.0 111.033 -177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 32.3 Cg_exo -59.14 -33.26 98.29 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.622 2.215 . . . . 0.0 112.199 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.15 -44.85 28.77 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.478 -1.389 . . . . 0.0 110.425 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.6 -42.83 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.743 -1.223 . . . . 0.0 109.043 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -65.28 -42.98 92.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.477 -0.764 . . . . 0.0 110.217 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.81 74.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.008 -1.057 . . . . 0.0 109.77 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.97 94.16 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.456 -0.778 . . . . 0.0 110.14 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 58.8 t0 -59.77 -41.51 91.24 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.882 -0.727 . . . . 0.0 109.109 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.56 -43.25 97.48 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.862 -1.149 . . . . 0.0 109.646 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 96.1 mtp -61.04 -39.83 91.31 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.625 -0.672 . . . . 0.0 110.62 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.43 -28.21 69.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.813 -1.179 . . . . 0.0 109.39 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.77 -27.71 68.19 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.983 -1.073 . . . . 0.0 109.176 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -80.22 -2.8 46.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.581 -0.7 . . . . 0.0 109.139 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.39 33.35 61.49 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.162 -1.018 . . . . 0.0 110.779 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.97 139.98 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.442 -1.034 . . . . 0.0 108.481 178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.4 p -51.81 141.39 17.32 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.995 -1.066 . . . . 0.0 109.856 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -57.5 -43.26 84.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.133 -0.979 . . . . 0.0 111.091 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.95 -46.15 90.34 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 119.381 -0.928 . . . . 0.0 109.79 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.8 m -69.18 -41.24 77.46 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 120.884 -1.135 . . . . 0.0 109.241 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -51.55 69.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.557 -0.715 . . . . 0.0 110.957 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -67.7 -39.58 84.37 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.744 -1.222 . . . . 0.0 110.484 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.67 76.75 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.465 -1.397 . . . . 0.0 108.504 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.6 m -60.43 -39.83 88.88 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.198 0.523 . . . . 0.0 110.811 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.17 -40.68 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.856 . . . . 0.0 109.259 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.66 -24.53 64.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.07 -1.019 . . . . 0.0 109.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.65 -49.08 19.94 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -73.8 -41.71 61.98 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.329 -1.101 . . . . 0.0 109.09 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.7 m-85 -98.38 133.24 43.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.517 -0.739 . . . . 0.0 109.051 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -80.47 62.2 4.48 Favored 'General case' 0 C--O 1.2 -1.524 0 O-C-N 120.893 -1.129 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.12 150.46 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.9 t -68.38 130.59 43.33 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.567 0.698 . . . . 0.0 110.038 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.86 91.72 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.152 -0.967 . . . . 0.0 110.717 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.0 m -63.27 -39.96 96.05 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.63 -0.669 . . . . 0.0 110.106 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.0 m -66.91 -49.84 64.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.491 -1.38 . . . . 0.0 110.905 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.67 -40.93 89.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.948 -1.095 . . . . 0.0 109.632 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -59.72 -49.88 76.03 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 119.394 -0.923 . . . . 0.0 110.379 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.31 -40.69 95.13 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 120.781 -1.2 . . . . 0.0 109.466 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.521 ' HZ1' ' CD2' ' A' ' 164' ' ' LEU . 8.4 mtpm? -69.77 -35.36 74.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.254 -0.904 . . . . 0.0 110.545 -179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -59.72 -47.58 85.09 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.839 -1.163 . . . . 0.0 110.391 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -70.44 -35.43 73.35 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.317 -0.864 . . . . 0.0 109.977 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.417 -0.802 . . . . 0.0 110.709 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.13 -9.08 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.55 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -59.18 -40.77 86.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.891 . . . . 0.0 110.561 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -77.45 -10.43 59.46 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.955 -1.09 . . . . 0.0 110.155 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -102.46 142.03 34.32 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.182 -0.949 . . . . 0.0 109.093 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -61.36 145.96 49.78 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 14.3 mttm -52.92 -49.95 84.32 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.353 -0.842 . . . . 0.0 109.702 -179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 53.6 Cg_exo -49.65 -34.93 36.52 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.336 2.024 . . . . 0.0 113.075 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -88.13 -4.07 58.8 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.053 -1.029 . . . . 0.0 110.684 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.8 m0 -58.25 -39.66 79.76 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.657 -1.277 . . . . 0.0 109.933 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.02 -40.05 72.84 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 118.873 -1.131 . . . . 0.0 109.248 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -72.96 -40.22 65.53 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.238 -0.985 . . . . 0.0 110.047 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.88 83.61 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.162 -0.961 . . . . 0.0 110.204 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.535 ' C ' ' H ' ' A' ' 166' ' ' ASP . 80.4 mt -72.54 -0.98 14.24 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.534 -0.729 . . . . 0.0 109.988 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.5 p -69.31 16.47 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 120.876 -1.14 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' A' ' 164' ' ' LEU . 90.8 m-20 -84.5 139.89 31.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.298 -0.876 . . . . 0.0 109.341 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -80.7 -122.94 0.52 Allowed Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -83.71 124.56 30.99 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.669 -0.901 . . . . 0.0 110.055 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -98.84 -0.32 57.57 Favored Glycine 0 N--CA 1.506 3.324 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -75.57 135.91 40.54 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.392 -1.063 . . . . 0.0 109.736 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 85.9 p -147.35 159.52 43.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.908 -1.12 . . . . 0.0 109.567 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 42.4 mtm-85 -98.75 138.6 35.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.172 -0.955 . . . . 0.0 109.364 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -88.77 -19.3 26.19 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.839 178.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.8 mtt . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.7 mt -60.01 -34.02 55.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 C-N-CA 119.546 -0.862 . . . . 0.0 109.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.15 143.92 20.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.075 -1.016 . . . . 0.0 109.358 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -70.0 150.07 96.29 Favored Pre-proline 0 N--CA 1.502 2.127 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 -178.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -69.7 150.01 68.0 Favored 'Trans proline' 0 N--CA 1.502 2.008 0 C-N-CA 120.623 0.882 . . . . 0.0 112.146 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 m -167.49 68.98 0.09 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 9.2 mp -104.02 45.84 0.94 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -111.93 -24.15 10.13 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.504 -0.748 . . . . 0.0 109.298 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' ASP . . . -104.58 -32.98 8.68 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.651 -0.655 . . . . 0.0 110.164 -178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -40.8 94.91 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.608 0.718 . . . . 0.0 111.047 -178.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ALA . 56.1 t0 -58.57 -30.44 67.16 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 13.9 p90 -95.06 -138.37 0.23 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 18.1 p-10 -132.72 97.07 3.95 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 121.07 -1.018 . . . . 0.0 110.727 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.03 -32.52 74.04 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.371 -0.83 . . . . 0.0 110.553 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -58.41 -39.96 81.18 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.777 -1.202 . . . . 0.0 109.681 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.02 95.57 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.731 -1.231 . . . . 0.0 108.201 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.9 tp -60.15 -49.92 75.72 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-O 121.321 0.581 . . . . 0.0 109.88 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -64.42 -32.95 74.78 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.872 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -59.91 -39.33 85.05 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.805 -1.184 . . . . 0.0 107.923 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -60.02 -40.41 89.2 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.178 -0.951 . . . . 0.0 108.91 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.455 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.6 t-105 -60.4 -49.32 78.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.006 -1.059 . . . . 0.0 109.529 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -58.18 -38.93 77.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.384 -0.823 . . . . 0.0 110.009 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 98' ' ' ASN . 2.1 m120 -81.67 -3.38 53.4 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.92 -1.113 . . . . 0.0 109.317 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.47 154.32 42.01 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.49 -0.756 . . . . 0.0 109.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.8 p -73.22 160.26 32.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.271 -0.893 . . . . 0.0 109.915 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.26 -40.01 88.82 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.084 -1.01 . . . . 0.0 109.744 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.5 t -60.01 -40.01 87.8 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 110.079 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -62.02 -40.52 95.98 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.147 -0.971 . . . . 0.0 110.354 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -66.05 -39.97 90.55 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.319 -0.863 . . . . 0.0 109.622 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.3 -39.92 88.66 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.078 -1.014 . . . . 0.0 110.605 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.19 -50.28 74.3 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.084 -1.01 . . . . 0.0 109.117 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.27 96.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.269 -0.894 . . . . 0.0 109.797 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.367 0.603 . . . . 0.0 109.489 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.24 -39.35 86.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.185 -0.947 . . . . 0.0 111.298 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -85.82 -8.99 57.75 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.934 -1.104 . . . . 0.0 113.584 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 23.7 tp -74.76 -36.94 2.57 Favored Pre-proline 0 N--CA 1.5 2.036 0 O-C-N 119.461 -2.025 . . . . 0.0 112.293 -177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.1 Cg_exo -64.03 -32.57 64.53 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.146 1.897 . . . . 0.0 112.388 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.68 -41.61 53.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.38 -0.825 . . . . 0.0 110.485 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.3 t -69.5 -44.58 79.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.121 -0.987 . . . . 0.0 110.199 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -65.17 -42.23 93.87 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.784 -1.197 . . . . 0.0 110.37 -178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.49 90.58 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.141 -0.974 . . . . 0.0 109.975 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.65 94.65 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.278 -0.889 . . . . 0.0 109.991 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -59.91 -44.16 94.45 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.52 -0.738 . . . . 0.0 109.439 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.05 -40.77 94.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.115 -0.991 . . . . 0.0 109.252 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 65.9 mtt -66.31 -40.14 89.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.324 -0.86 . . . . 0.0 109.738 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.53 -30.71 70.43 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.618 -0.676 . . . . 0.0 109.705 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.52 -40.16 90.46 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -73.46 -3.06 25.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.87 -1.144 . . . . 0.0 108.573 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.81 41.41 42.02 Favored Glycine 0 N--CA 1.494 2.504 0 C-N-CA 120.417 -0.896 . . . . 0.0 111.234 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 79.7 mt -78.6 145.04 10.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 121.026 -1.279 . . . . 0.0 108.808 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.3 m -51.01 138.18 19.96 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.032 -1.042 . . . . 0.0 110.005 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 p -58.8 -46.0 88.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.572 -0.705 . . . . 0.0 110.466 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -60.03 -47.81 84.3 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.919 -1.113 . . . . 0.0 109.272 -178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.8 m -66.51 -43.81 84.26 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.335 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.69 -48.65 80.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.332 -0.855 . . . . 0.0 111.108 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -68.6 -40.08 80.59 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.646 -1.284 . . . . 0.0 109.168 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.76 92.45 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.124 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.7 m -62.55 -44.99 94.98 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.835 -1.165 . . . . 0.0 109.5 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.62 -42.96 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.238 -0.914 . . . . 0.0 109.207 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.37 -30.4 70.78 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.554 -1.341 . . . . 0.0 109.198 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.3 -53.04 10.96 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -67.56 -41.75 83.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.303 -1.116 . . . . 0.0 109.693 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 135' ' ' ALA . 93.5 m-85 -101.86 132.75 47.46 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.282 -0.886 . . . . 0.0 109.36 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -81.93 66.63 7.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.746 -1.221 . . . . 0.0 108.907 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.07 155.31 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.788 -0.57 . . . . 0.0 109.562 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t -70.34 130.0 40.8 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.187 -0.946 . . . . 0.0 109.24 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.97 91.53 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.317 -0.865 . . . . 0.0 108.942 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.4 t -64.41 -40.87 96.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 111.09 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.2 m -65.78 -46.59 78.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.521 -1.362 . . . . 0.0 108.576 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.07 -40.87 91.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 109.755 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' A' ' 146' ' ' ARG . 28.5 ttt-85 -60.08 -50.63 72.96 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.201 -0.937 . . . . 0.0 110.49 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -59.97 -42.14 93.51 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.902 -1.124 . . . . 0.0 110.47 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.98 -34.28 76.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.941 -1.099 . . . . 0.0 110.259 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.94 -48.7 80.63 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.865 -1.147 . . . . 0.0 110.473 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -69.96 -35.15 74.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.908 -1.12 . . . . 0.0 110.478 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.07 -40.48 89.67 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.803 -1.186 . . . . 0.0 110.604 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.0 m -82.38 -15.5 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.801 -1.187 . . . . 0.0 110.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.377 -0.827 . . . . 0.0 109.755 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -77.04 -4.04 42.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.001 -1.062 . . . . 0.0 110.099 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -108.65 152.54 24.67 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.223 -0.923 . . . . 0.0 109.573 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -60.45 140.34 57.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.285 -0.884 . . . . 0.0 108.781 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -57.91 -40.82 86.44 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.9 -1.125 . . . . 0.0 110.7 -178.096 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.3 Cg_exo -62.43 -30.19 79.96 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.116 1.877 . . . . 0.0 111.905 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -88.8 -0.82 57.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.199 -0.938 . . . . 0.0 110.628 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -57.47 -39.35 76.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.139 -0.976 . . . . 0.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.01 84.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.69 -1.256 . . . . 0.0 109.536 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.68 -39.29 52.54 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.36 -0.837 . . . . 0.0 110.334 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.61 80.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.416 -0.802 . . . . 0.0 110.473 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.67 -39.45 91.36 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.823 -1.173 . . . . 0.0 109.03 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.9 t -69.45 -40.08 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.745 -1.222 . . . . 0.0 110.36 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -86.13 109.95 19.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.953 -1.092 . . . . 0.0 109.267 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -87.74 112.61 3.88 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -86.87 121.46 29.38 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.315 -1.109 . . . . 0.0 108.966 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -88.16 -138.28 6.04 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.13 109.94 12.66 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.535 -0.979 . . . . 0.0 108.783 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 80.0 p -75.87 -39.73 55.93 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.677 -0.64 . . . . 0.0 110.148 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -99.26 131.41 45.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.249 -0.907 . . . . 0.0 108.647 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.2 ttt-85 -96.68 118.88 34.09 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.294 -0.879 . . . . 0.0 109.452 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.5 2.069 0 O-C-N 121.085 -1.009 . . . . 0.0 109.509 179.339 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.499 HD12 ' CZ2' ' A' ' 96' ' ' TRP . 79.9 mt -59.97 -37.91 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.841 -1.162 . . . . 0.0 110.311 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.23 134.6 44.35 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 118.671 -1.212 . . . . 0.0 109.864 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -66.77 145.38 98.92 Favored Pre-proline 0 C--N 1.296 -1.738 0 O-C-N 120.772 -1.205 . . . . 0.0 107.953 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -60.04 -30.0 90.54 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 CA-C-N 120.926 1.366 . . . . 0.0 109.545 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.2 m -71.36 149.53 45.93 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' NE2' ' A' ' 85' ' ' HIS . 51.0 mt -136.11 92.64 2.81 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -155.28 -30.33 0.1 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.218 -0.926 . . . . 0.0 110.205 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.33 -14.04 10.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.876 -1.14 . . . . 0.0 109.137 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' NE2' HD23 ' A' ' 82' ' ' LEU . 1.7 p-80 -121.53 138.71 54.18 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -89.35 10.03 23.94 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.593 ' O ' ' CG ' ' A' ' 87' ' ' TYR . 6.4 p90 -134.3 87.11 2.33 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 12.1 p-10 -85.42 99.1 10.97 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.702 -1.249 . . . . 0.0 109.288 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -90.79 103.04 15.79 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.215 -0.928 . . . . 0.0 110.069 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.39 -39.97 81.51 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.54 98.68 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.16 0.505 . . . . 0.0 110.676 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -59.97 -55.6 31.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 109.805 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -70.0 -34.54 73.45 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.383 -0.823 . . . . 0.0 110.72 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.1 m -59.99 -40.13 88.12 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.854 -1.154 . . . . 0.0 109.623 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -64.57 -40.07 94.88 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.186 -0.946 . . . . 0.0 108.982 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.499 ' CZ2' HD12 ' A' ' 77' ' ' ILE . 5.2 t-105 -60.06 -47.31 86.39 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.548 -0.72 . . . . 0.0 110.07 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -58.94 -40.02 83.37 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.995 -1.066 . . . . 0.0 108.946 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.01 -0.21 57.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.396 -0.815 . . . . 0.0 110.392 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.45 155.8 24.52 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.839 -1.163 . . . . 0.0 109.226 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 158.33 35.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.98 -1.075 . . . . 0.0 108.965 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -59.91 -39.98 87.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.39 -0.819 . . . . 0.0 110.082 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.9 p -59.96 -39.84 86.99 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.061 -1.024 . . . . 0.0 108.902 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.96 -42.1 97.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.435 -0.791 . . . . 0.0 110.742 -178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.411 ' CZ ' ' CB ' ' A' ' 104' ' ' ARG . 7.8 mtm-85 -65.17 -40.08 93.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.547 -1.345 . . . . 0.0 109.097 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -65.46 -39.74 92.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.8 tp -59.93 -49.17 78.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.201 -0.937 . . . . 0.0 108.99 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.97 90.78 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.318 -0.864 . . . . 0.0 108.759 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.78 -40.09 91.28 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.613 -0.679 . . . . 0.0 109.621 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -68.28 -40.04 81.94 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.079 -1.013 . . . . 0.0 111.398 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -81.96 -8.93 59.7 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.427 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.8 tp -73.48 -49.08 6.8 Favored Pre-proline 0 C--N 1.301 -1.525 0 O-C-N 120.798 -1.189 . . . . 0.0 111.747 -178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 46.3 Cg_endo -66.38 -26.08 48.44 Favored 'Trans proline' 0 N--CA 1.498 1.754 0 CA-C-N 120.961 1.379 . . . . 0.0 112.639 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.38 -44.51 29.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.741 -1.225 . . . . 0.0 109.706 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.8 t -69.77 -40.56 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -65.01 -40.12 94.44 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.631 -0.668 . . . . 0.0 109.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.09 84.26 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.3 -0.875 . . . . 0.0 109.881 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.75 87.07 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.524 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -59.85 -43.4 94.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.112 -0.993 . . . . 0.0 109.122 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 85.9 tt0 -60.18 -41.55 93.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.058 -1.026 . . . . 0.0 110.068 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.6 mtp -72.76 -39.99 66.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.634 -1.291 . . . . 0.0 111.809 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.82 -40.01 96.06 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.001 -1.062 . . . . 0.0 111.051 -177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.49 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 5.5 p-10 -70.34 -12.65 61.73 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.8 -1.188 . . . . 0.0 109.328 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -84.5 0.27 50.39 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.673 0.749 . . . . 0.0 109.099 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.49 24.21 76.64 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 120.388 -0.91 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 81.0 mt -76.15 140.18 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.059 -1.26 . . . . 0.0 107.688 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -57.02 139.19 53.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.86 -1.15 . . . . 0.0 109.595 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -56.0 -42.27 76.12 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.328 -0.858 . . . . 0.0 110.218 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -59.87 -43.21 94.85 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.958 -1.089 . . . . 0.0 109.531 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.6 m -69.99 -44.29 69.68 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.817 -1.177 . . . . 0.0 109.761 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.66 76.81 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.22 -0.925 . . . . 0.0 110.388 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -68.22 -40.25 82.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.952 -1.093 . . . . 0.0 109.734 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.89 87.97 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.582 -0.847 . . . . 0.0 109.145 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 57.7 m -61.9 -45.65 92.79 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.423 -0.798 . . . . 0.0 109.716 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.17 -49.11 82.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.03 -1.044 . . . . 0.0 108.866 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.81 -35.94 79.68 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.449 -0.782 . . . . 0.0 109.325 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.21 -48.15 40.5 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -70.71 -41.6 71.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.962 -1.316 . . . . 0.0 110.199 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.3 m-85 -101.0 136.29 41.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.453 -0.779 . . . . 0.0 109.499 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -82.49 65.19 7.5 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.733 -1.229 . . . . 0.0 108.949 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.8 m -130.04 159.88 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 121.305 -0.872 . . . . 0.0 109.441 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -72.64 129.1 37.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.052 -1.03 . . . . 0.0 109.882 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.04 87.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.247 -0.908 . . . . 0.0 110.078 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 t -67.65 -40.33 84.54 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.129 -0.982 . . . . 0.0 110.817 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 60.2 m -61.04 -48.97 79.31 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.125 -0.985 . . . . 0.0 110.51 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.25 -41.41 93.15 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.269 -0.894 . . . . 0.0 110.375 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -59.92 -51.13 70.99 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.218 -0.926 . . . . 0.0 110.344 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.08 -40.14 92.56 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.808 -1.182 . . . . 0.0 111.059 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -68.61 -36.8 79.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.262 -0.899 . . . . 0.0 111.264 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.98 -47.73 84.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.772 -1.205 . . . . 0.0 109.335 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -61.1 -39.83 91.45 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.849 -1.157 . . . . 0.0 109.636 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.0 -40.13 88.14 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.887 -1.133 . . . . 0.0 111.049 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.7 m -81.72 -12.94 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.665 -1.272 . . . . 0.0 111.047 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -59.87 -33.26 71.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.112 . . . . 0.0 109.876 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -72.22 -24.53 61.41 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.943 . . . . 0.0 109.884 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -104.79 152.66 22.3 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.221 -0.924 . . . . 0.0 110.648 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.28 150.9 45.89 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.402 -0.811 . . . . 0.0 110.519 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -49.46 -61.18 3.74 Favored Pre-proline 0 N--CA 1.487 1.42 0 O-C-N 121.625 -0.672 . . . . 0.0 110.783 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -30.45 -42.52 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.662 2.241 . . . . 0.0 114.46 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -88.87 0.42 56.59 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.749 -1.22 . . . . 0.0 111.271 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -57.8 -39.55 77.82 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.071 -1.018 . . . . 0.0 109.035 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.73 -43.41 76.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.237 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.58 -38.26 48.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 110.345 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.21 80.75 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.195 -0.941 . . . . 0.0 110.458 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.5 mt -68.57 -23.98 64.55 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.325 -0.86 . . . . 0.0 109.905 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.3 t -69.89 -41.31 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 120.895 -1.128 . . . . 0.0 109.905 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -94.32 131.05 40.35 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.057 -1.027 . . . . 0.0 110.203 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -95.01 -165.69 35.54 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -81.68 -9.51 59.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.193 -1.181 . . . . 0.0 108.774 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -152.3 133.9 4.31 Favored Glycine 0 N--CA 1.494 2.567 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -82.66 117.67 22.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.156 -1.202 . . . . 0.0 110.382 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 92.2 p -142.02 150.28 41.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.192 -0.942 . . . . 0.0 109.152 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -153.22 120.85 5.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 109.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.26 -11.91 31.41 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.191 -0.943 . . . . 0.0 109.026 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.121 -0.987 . . . . 0.0 108.667 179.309 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.2 mt -63.27 141.68 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 121.202 -0.937 . . . . 0.0 110.111 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.05 -121.03 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -70.03 149.98 96.26 Favored Pre-proline 0 N--CA 1.491 1.579 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 -178.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -69.72 149.04 66.64 Favored 'Trans proline' 0 N--CA 1.488 1.158 0 CA-C-O 122.466 0.944 . . . . 0.0 113.745 -177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 81' ' ' THR . 19.0 m -82.71 -11.46 58.31 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.608 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.702 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -92.9 147.95 22.42 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 122.383 1.087 . . . . 0.0 112.92 -176.053 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.583 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 85.8 tt0 -120.03 137.26 54.2 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.88 103.16 0.07 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.126 -0.983 . . . . 0.0 110.078 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.633 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -117.61 -93.29 0.51 Allowed 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -77.59 -13.44 59.91 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.325 -0.859 . . . . 0.0 110.292 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -153.83 164.49 38.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 109.277 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 41.3 p-10 -86.28 115.68 23.97 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.782 -1.199 . . . . 0.0 109.634 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -69.92 -22.06 63.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.451 -0.781 . . . . 0.0 110.103 179.511 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 94' ' ' SER . 79.8 mm-40 -60.04 -39.97 87.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.545 -1.347 . . . . 0.0 109.861 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.62 98.91 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.487 -1.383 . . . . 0.0 109.905 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.5 tp -69.53 -57.54 5.09 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.904 -1.123 . . . . 0.0 110.652 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -68.75 -27.27 65.77 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.946 -1.096 . . . . 0.0 110.874 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 27.3 t -59.96 -40.21 88.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.228 -1.545 . . . . 0.0 108.914 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -61.13 -40.24 93.06 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.918 -1.114 . . . . 0.0 108.251 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.494 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -62.37 -44.63 96.02 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.698 -0.626 . . . . 0.0 109.681 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 47.7 t0 -59.44 -39.75 84.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.027 -1.046 . . . . 0.0 109.194 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -81.83 -4.95 57.71 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 109.893 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.09 156.17 38.0 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.284 -0.885 . . . . 0.0 109.579 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 t -71.37 154.39 41.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.024 -1.047 . . . . 0.0 109.759 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.9 p-10 -58.56 -40.44 83.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.945 -1.097 . . . . 0.0 109.59 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.568 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 24.1 t -60.51 -40.79 92.66 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.893 -1.129 . . . . 0.0 110.509 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -65.26 -41.02 94.7 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.213 -0.929 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.8 mtm180 -66.33 -40.22 89.74 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.625 -1.297 . . . . 0.0 109.612 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 105' ' ' ARG . 56.5 mtt-85 -64.22 -39.66 94.43 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.474 -0.767 . . . . 0.0 109.27 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.55 -42.46 99.55 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 121.375 0.607 . . . . 0.0 110.199 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.63 90.42 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.883 -1.136 . . . . 0.0 109.019 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.98 -40.15 88.15 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.512 -0.743 . . . . 0.0 110.265 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.32 -39.27 92.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.082 . . . . 0.0 110.006 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.483 ' O ' HG23 ' A' ' 114' ' ' VAL . 69.5 m95 -84.1 -8.0 59.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.715 -0.615 . . . . 0.0 111.81 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.504 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 16.7 tp -73.58 -44.57 7.24 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 120.323 -1.485 . . . . 0.0 112.06 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.4 Cg_endo -68.6 -27.37 32.7 Favored 'Trans proline' 0 N--CA 1.502 2.02 0 C-N-CA 121.273 1.315 . . . . 0.0 113.542 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -39.91 59.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.909 -1.119 . . . . 0.0 109.707 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.2 t -69.42 -40.54 80.04 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 120.97 -1.082 . . . . 0.0 108.704 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -67.52 -41.5 84.31 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.308 -0.87 . . . . 0.0 108.804 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.68 97.47 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.337 -0.852 . . . . 0.0 110.092 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.63 93.67 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.39 -0.819 . . . . 0.0 110.329 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.34 -41.5 89.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.887 -1.133 . . . . 0.0 109.169 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.1 -39.73 93.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.646 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.8 mmt -64.62 -40.41 95.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.788 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.05 -39.7 93.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.751 -1.218 . . . . 0.0 109.6 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -69.81 -20.72 63.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.093 -1.005 . . . . 0.0 109.089 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -78.46 -4.02 46.34 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.07 20.02 77.63 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.552 -1.309 . . . . 0.0 110.883 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.5 mt -77.7 140.92 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.998 -1.295 . . . . 0.0 108.436 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.0 m -51.2 141.18 15.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.475 -0.765 . . . . 0.0 109.971 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -57.33 -43.88 83.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.238 -0.913 . . . . 0.0 110.043 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.06 -46.97 86.9 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.069 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 91.0 m -67.88 -40.66 83.54 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.781 -1.199 . . . . 0.0 108.663 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.36 58.86 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.127 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -70.07 -40.23 75.15 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.6 93.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.828 -0.545 . . . . 0.0 109.582 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.2 m -62.27 -42.3 99.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.038 -1.039 . . . . 0.0 109.473 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.47 -49.33 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.407 -0.808 . . . . 0.0 109.212 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.3 65.95 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.172 -0.955 . . . . 0.0 108.581 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.94 -43.49 57.83 Favored Glycine 0 N--CA 1.486 2.023 0 N-CA-C 107.799 -2.12 . . . . 0.0 107.799 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -80.01 -52.22 8.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.188 -1.183 . . . . 0.0 109.318 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -91.28 131.11 37.01 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.584 -0.697 . . . . 0.0 109.341 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -83.73 68.86 10.05 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.742 -1.224 . . . . 0.0 109.364 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.0 m -131.17 160.12 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.457 -0.777 . . . . 0.0 109.049 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.3 t -71.42 129.52 39.01 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.276 -0.89 . . . . 0.0 109.908 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.85 97.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 110.125 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 61.1 m -60.88 -40.07 91.64 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.372 -0.83 . . . . 0.0 110.227 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.3 m -65.38 -46.87 78.4 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.17 -45.22 93.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.473 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -60.07 -48.22 82.61 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.372 -0.83 . . . . 0.0 111.104 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 52.1 t0 -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.927 -1.108 . . . . 0.0 110.101 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -69.27 -35.77 76.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.629 -1.294 . . . . 0.0 111.191 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.419 ' O ' HG22 ' A' ' 152' ' ' VAL . 36.1 t80 -58.47 -49.44 77.32 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.723 -177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.403 ' O ' ' CG ' ' A' ' 153' ' ' GLN . 47.0 m-85 -62.46 -38.86 91.42 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.241 -0.912 . . . . 0.0 109.769 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -59.77 -39.69 85.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.51 -0.744 . . . . 0.0 112.049 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 149' ' ' TYR . 24.9 m -77.45 -10.3 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.524 -1.36 . . . . 0.0 110.857 -177.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.5 HE21 ' C ' ' A' ' 153' ' ' GLN . 0.0 OUTLIER -57.84 -28.91 64.54 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.894 -1.129 . . . . 0.0 110.436 -179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.36 -9.48 59.6 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.178 -0.951 . . . . 0.0 109.871 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -111.08 142.65 42.96 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.28 -0.887 . . . . 0.0 110.372 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -55.89 144.16 29.11 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 24.1 mmtm -50.13 -42.87 74.79 Favored Pre-proline 0 N--CA 1.506 2.342 0 O-C-N 120.917 -1.115 . . . . 0.0 111.055 -177.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 15.7 Cg_exo -69.02 -26.56 30.94 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.441 2.094 . . . . 0.0 112.234 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -87.28 -5.78 58.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.045 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -52.94 -24.32 9.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.164 -0.96 . . . . 0.0 109.617 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.16 90.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.15 -0.969 . . . . 0.0 109.827 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.69 -30.4 59.32 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.144 -0.972 . . . . 0.0 109.425 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.34 93.28 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.588 -0.695 . . . . 0.0 110.006 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.97 -38.72 86.6 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.88 -1.138 . . . . 0.0 109.879 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.06 -39.77 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.312 -0.868 . . . . 0.0 109.967 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -86.96 129.39 34.9 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.167 -0.958 . . . . 0.0 109.086 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -153.52 80.24 0.19 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.451 HH11 ' HG2' ' A' ' 168' ' ' ARG . 30.5 mtt-85 -84.24 139.93 32.02 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.476 -1.014 . . . . 0.0 109.329 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -154.3 -100.26 0.18 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -77.06 142.53 39.8 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.4 -1.059 . . . . 0.0 110.104 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 25.6 m -82.02 117.45 22.23 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.526 -0.734 . . . . 0.0 109.235 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -156.85 162.5 39.69 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.667 -0.646 . . . . 0.0 109.608 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -90.75 140.59 29.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.166 -0.959 . . . . 0.0 109.092 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.167 -179.733 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 ttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.25 140.27 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 109.224 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.84 -99.9 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -163.7 63.62 1.22 Allowed Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 120.953 -1.092 . . . . 0.0 109.887 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.41 ' O ' HD23 ' A' ' 82' ' ' LEU . 24.0 Cg_endo -69.98 150.07 66.36 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 121.617 1.544 . . . . 0.0 108.914 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.2 m -62.97 140.65 58.88 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.825 -1.172 . . . . 0.0 111.699 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -152.37 117.7 5.27 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.559 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 97.2 mt-10 -93.17 142.09 27.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.802 -1.186 . . . . 0.0 108.972 -178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 134.22 56.83 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.829 -1.169 . . . . 0.0 108.984 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.683 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -172.21 -90.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.47 -178.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.601 ' H ' ' CG ' ' A' ' 85' ' ' HIS . 46.6 t0 -61.87 -40.01 93.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.276 -0.89 . . . . 0.0 109.877 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -137.26 160.56 38.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.272 -0.893 . . . . 0.0 109.245 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -92.33 126.0 37.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 108.69 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -59.89 -44.09 94.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.176 -0.952 . . . . 0.0 110.05 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 96.2 mt-10 -60.53 -50.39 73.75 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.153 -0.967 . . . . 0.0 110.751 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.32 98.2 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.747 -1.22 . . . . 0.0 111.198 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.2 tp -72.01 -59.96 2.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.946 -1.096 . . . . 0.0 110.887 -178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -67.92 -30.3 69.59 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 111.042 -178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 46.9 t -60.0 -40.35 88.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.271 -1.518 . . . . 0.0 108.541 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -60.44 -41.78 94.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.929 -1.107 . . . . 0.0 108.566 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CE3' ' NH1' ' A' ' 104' ' ' ARG . 2.9 t-105 -64.07 -45.45 88.69 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.844 0.831 . . . . 0.0 109.114 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -60.08 -39.34 85.72 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.116 -0.99 . . . . 0.0 109.001 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -87.67 -0.06 56.37 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.164 -0.96 . . . . 0.0 109.896 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.54 160.75 32.15 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 109.693 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.7 t -70.07 146.25 51.08 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.144 -0.973 . . . . 0.0 109.348 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -60.0 -40.72 90.2 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.198 -0.938 . . . . 0.0 110.739 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 93.9 p -60.06 -39.87 87.47 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.335 -0.853 . . . . 0.0 109.815 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' HB3' HH21 ' A' ' 104' ' ' ARG . 23.2 mm100 -61.07 -36.89 80.83 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.334 -0.854 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.654 ' HE ' ' N ' ' A' ' 104' ' ' ARG . 2.7 mmp_? -59.91 -43.07 95.06 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.142 -0.974 . . . . 0.0 109.199 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -60.6 -41.71 95.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.202 -0.936 . . . . 0.0 109.942 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.98 -49.12 78.9 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 109.171 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.85 95.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.96 -1.088 . . . . 0.0 108.95 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.66 -40.15 90.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.245 -0.909 . . . . 0.0 109.963 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.06 -39.92 96.15 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.409 -0.807 . . . . 0.0 111.09 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.479 ' CE3' ' CE ' ' A' ' 148' ' ' LYS . 66.4 m95 -80.79 -9.95 59.77 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.15 -0.969 . . . . 0.0 111.434 -178.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.503 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 13.5 tp -72.51 -46.25 9.96 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.415 -1.428 . . . . 0.0 112.232 -178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 33.7 Cg_endo -62.72 -25.13 74.89 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 CA-C-N 120.864 1.344 . . . . 0.0 112.72 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.6 -40.05 26.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.826 -1.171 . . . . 0.0 110.831 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 110' ' ' TRP . 40.9 t -68.87 -47.77 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.003 -1.061 . . . . 0.0 109.58 -178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -68.9 -39.92 79.45 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.882 -1.136 . . . . 0.0 109.737 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.39 95.37 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.923 -1.111 . . . . 0.0 108.755 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.6 91.39 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.528 -0.733 . . . . 0.0 109.208 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.91 -45.83 91.3 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.36 -0.837 . . . . 0.0 109.403 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.7 mt-10 -62.36 -39.97 94.9 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.191 -0.943 . . . . 0.0 109.378 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.7 mtt -70.11 -39.99 75.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.912 . . . . 0.0 110.955 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.5 mt -62.89 -39.97 96.1 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.27 -0.894 . . . . 0.0 110.911 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.548 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 44.3 p30 -65.65 -19.72 66.02 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 110.142 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.548 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 24.8 tt0 -76.77 4.5 9.52 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 109.776 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.41 20.75 79.94 Favored Glycine 0 N--CA 1.492 2.375 0 O-C-N 121.159 -0.963 . . . . 0.0 111.276 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -76.92 145.76 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 120.852 -1.381 . . . . 0.0 109.379 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -59.88 142.36 53.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.345 -0.847 . . . . 0.0 109.497 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 p -58.46 -44.87 89.41 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.418 -0.801 . . . . 0.0 110.99 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -59.98 -45.07 93.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.915 -1.116 . . . . 0.0 109.826 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.2 m -66.12 -44.44 84.24 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.788 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.89 66.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.64 -0.662 . . . . 0.0 110.314 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -66.1 -39.96 90.4 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.041 -1.037 . . . . 0.0 109.583 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.93 -42.6 99.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.045 -1.035 . . . . 0.0 109.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.8 m -64.63 -42.42 95.5 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.035 -1.041 . . . . 0.0 110.07 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.69 -45.51 98.51 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 121.143 -0.973 . . . . 0.0 109.192 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.08 -28.64 68.35 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.202 -0.936 . . . . 0.0 109.209 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.27 -50.1 23.35 Favored Glycine 0 N--CA 1.487 2.097 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -73.6 -41.76 62.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.004 -1.292 . . . . 0.0 109.076 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.3 m-85 -99.33 134.18 42.57 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.211 -0.931 . . . . 0.0 109.633 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -84.23 63.67 7.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.186 -0.946 . . . . 0.0 109.868 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.8 m -131.24 159.03 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.558 -0.714 . . . . 0.0 109.218 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 m -72.82 129.61 38.57 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.482 -0.761 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.41 -0.806 . . . . 0.0 109.698 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.5 m -60.73 -40.14 91.24 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.066 -1.021 . . . . 0.0 110.363 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 m -66.17 -44.56 83.7 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.104 -0.998 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -40.44 88.83 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.296 -0.878 . . . . 0.0 110.198 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -60.06 -47.32 86.37 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.148 -0.97 . . . . 0.0 110.743 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -60.05 -41.21 91.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.805 -1.184 . . . . 0.0 110.9 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.479 ' CE ' ' CE3' ' A' ' 110' ' ' TRP . 15.7 mtmm -69.92 -38.39 76.23 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.34 -0.85 . . . . 0.0 111.796 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -59.83 -41.63 91.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.788 -1.195 . . . . 0.0 110.651 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -71.35 -37.92 71.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.728 -1.233 . . . . 0.0 109.155 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.66 -40.6 95.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.561 -0.712 . . . . 0.0 110.994 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.9 m -80.74 -12.0 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.315 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.67 -38.8 82.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.159 -0.963 . . . . 0.0 109.687 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -77.5 -9.22 58.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.002 -1.061 . . . . 0.0 109.907 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.48 152.63 22.77 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.136 -0.977 . . . . 0.0 110.269 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.91 139.13 57.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.547 -0.721 . . . . 0.0 109.512 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 4.3 ttpt -52.44 -46.63 94.89 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.248 -0.908 . . . . 0.0 110.321 -179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 37.3 Cg_exo -59.75 -36.85 90.31 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 122.175 1.917 . . . . 0.0 113.094 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -79.44 0.8 27.89 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.204 -0.935 . . . . 0.0 110.029 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -58.06 -39.89 79.62 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.964 -1.085 . . . . 0.0 109.184 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.28 -39.96 73.51 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.925 -1.109 . . . . 0.0 109.581 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.748 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -75.92 -31.04 58.96 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.275 -0.891 . . . . 0.0 109.89 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.37 71.29 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.431 -0.793 . . . . 0.0 110.761 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.41 -9.33 58.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 110.95 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 162' ' ' ALA . 11.0 m -69.73 -31.43 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.801 -1.187 . . . . 0.0 109.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -84.21 159.16 21.06 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.436 -0.79 . . . . 0.0 109.608 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -169.67 171.34 43.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' A' ' 168' ' ' ARG . 5.2 mmt-85 -83.7 -11.22 57.48 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.887 -1.361 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.69 99.18 0.13 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.92 -17.64 52.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.036 -1.273 . . . . 0.0 109.099 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 29.0 t -154.13 81.56 1.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.421 -0.799 . . . . 0.0 109.149 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -66.13 -50.9 62.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.443 -0.786 . . . . 0.0 109.941 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -154.1 -54.93 0.1 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 117.918 -1.039 . . . . 0.0 109.056 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.428 0.632 . . . . 0.0 109.655 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.3 mm -60.14 140.04 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.421 -0.8 . . . . 0.0 110.456 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.36 148.2 47.25 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' A' ' 79' ' ' ARG . 1.7 mmt180 -60.02 147.01 81.21 Favored Pre-proline 0 N--CA 1.491 1.598 0 C-N-CA 117.158 -1.817 . . . . 0.0 107.589 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.21 146.83 95.51 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.136 1.224 . . . . 0.0 113.98 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -66.54 149.02 51.07 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 85' ' ' HIS . 97.3 mt -142.19 35.59 1.53 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.997 -1.064 . . . . 0.0 110.229 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -158.78 -36.13 0.06 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.914 -1.117 . . . . 0.0 111.46 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.68 87.28 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.938 -1.101 . . . . 0.0 111.789 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.419 ' NE2' ' HA ' ' A' ' 82' ' ' LEU . 3.9 p80 -71.82 147.66 46.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.617 -0.677 . . . . 0.0 111.2 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -105.12 2.46 29.35 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -108.17 166.27 10.87 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.513 -0.742 . . . . 0.0 109.362 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -69.69 67.33 0.24 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.973 -1.079 . . . . 0.0 110.687 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -65.45 -34.11 77.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.259 -0.901 . . . . 0.0 109.437 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.96 -37.67 74.6 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.854 . . . . 0.0 110.097 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -39.65 84.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.987 -1.071 . . . . 0.0 109.428 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.82 -49.94 75.76 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.323 -0.86 . . . . 0.0 108.915 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -68.18 -27.29 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.21 -0.931 . . . . 0.0 109.43 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -58.4 -40.0 81.19 Favored 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 118.627 -1.229 . . . . 0.0 107.796 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -63.14 -41.39 99.28 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.05 178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.0 t-105 -60.25 -46.21 90.59 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.92 . . . . 0.0 109.096 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.423 -0.798 . . . . 0.0 109.537 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -87.53 -5.51 58.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.733 . . . . 0.0 109.935 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.23 148.27 51.05 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.322 -0.861 . . . . 0.0 109.872 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 166.92 22.37 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.551 -0.718 . . . . 0.0 109.442 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -59.95 -39.38 85.4 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.467 -0.771 . . . . 0.0 111.709 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.3 t -53.09 -43.82 67.09 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.158 -0.964 . . . . 0.0 110.778 -177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.561 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 23.0 mp0 -67.17 -40.24 86.58 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.841 -1.162 . . . . 0.0 110.005 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -66.4 -40.21 89.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.149 -0.969 . . . . 0.0 109.46 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -68.21 -40.66 82.07 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.098 -1.001 . . . . 0.0 109.23 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 tp -66.99 -50.41 62.33 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.05 -1.031 . . . . 0.0 109.602 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.82 92.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.275 -0.891 . . . . 0.0 110.057 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.62 -40.52 97.1 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.548 -0.72 . . . . 0.0 110.468 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.0 -38.97 83.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.43 -0.794 . . . . 0.0 110.251 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.401 ' O ' HG23 ' A' ' 114' ' ' VAL . 50.3 m95 -81.17 -9.2 59.83 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.284 -0.885 . . . . 0.0 111.743 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 15.4 tp -75.81 -46.53 4.0 Favored Pre-proline 0 N--CA 1.494 1.762 0 O-C-N 120.359 -1.463 . . . . 0.0 111.879 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 51.1 Cg_endo -66.19 -24.29 51.6 Favored 'Trans proline' 0 N--CA 1.499 1.833 0 CA-C-N 120.805 1.323 . . . . 0.0 111.648 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.1 59.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.03 -1.044 . . . . 0.0 110.018 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.1 -40.16 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.856 -1.153 . . . . 0.0 109.486 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.22 -40.57 86.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.577 -0.702 . . . . 0.0 110.479 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.464 ' O ' ' SD ' ' A' ' 120' ' ' MET . . . -61.79 -40.04 93.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.315 -0.865 . . . . 0.0 109.831 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.01 92.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.352 -0.843 . . . . 0.0 109.596 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -59.27 -40.26 85.49 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.02 -1.05 . . . . 0.0 110.128 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.481 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 98.8 mt-10 -61.61 -49.82 75.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.809 -1.182 . . . . 0.0 110.251 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.464 ' SD ' ' O ' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -71.62 -40.38 69.83 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.791 -1.193 . . . . 0.0 111.84 -179.25 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.47 -39.79 95.39 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.778 -1.201 . . . . 0.0 111.821 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 49.5 p30 -69.93 -17.25 63.32 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.667 -1.271 . . . . 0.0 109.318 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.509 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 42.7 tp60 -80.92 -2.49 47.82 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.561 -0.712 . . . . 0.0 109.621 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.53 21.2 79.63 Favored Glycine 0 N--CA 1.493 2.471 0 O-C-N 120.737 -1.227 . . . . 0.0 110.857 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.62 151.38 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.954 -1.321 . . . . 0.0 108.512 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -49.77 134.79 20.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 109.404 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 p -59.29 -42.98 92.57 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.301 -0.874 . . . . 0.0 109.945 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -59.97 -43.23 95.2 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.268 -0.973 . . . . 0.0 109.42 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m -69.41 -42.1 75.52 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.812 -1.18 . . . . 0.0 109.014 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.07 69.51 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.507 -0.745 . . . . 0.0 109.231 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.403 -0.81 . . . . 0.0 109.04 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.4 m -62.51 -41.47 98.85 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.92 -1.113 . . . . 0.0 109.198 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.16 -47.94 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.192 -0.942 . . . . 0.0 109.316 178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -62.62 -36.43 82.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.215 -0.928 . . . . 0.0 109.583 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.8 -49.18 37.36 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -69.51 -40.72 76.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.891 -1.358 . . . . 0.0 109.734 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.503 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.2 m-85 -106.65 135.64 47.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.439 -0.788 . . . . 0.0 109.535 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -80.33 63.12 4.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.907 -1.121 . . . . 0.0 109.609 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.67 153.87 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.1 m -73.89 127.99 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.315 -0.865 . . . . 0.0 110.63 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.04 88.82 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.559 -0.713 . . . . 0.0 110.486 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 95.2 p -63.95 -40.84 97.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.95 -1.094 . . . . 0.0 110.402 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.4 m -67.69 -43.98 78.83 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.14 -0.975 . . . . 0.0 110.606 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.06 -39.77 87.14 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.252 -0.905 . . . . 0.0 109.931 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -58.58 -48.61 80.38 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.151 -0.968 . . . . 0.0 109.626 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.32 -42.48 95.67 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.863 -1.148 . . . . 0.0 111.292 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.34 -34.72 75.05 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.81 -1.181 . . . . 0.0 111.067 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -60.08 -48.88 79.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.293 -0.88 . . . . 0.0 110.368 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.48 -38.15 77.57 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.127 -0.983 . . . . 0.0 109.115 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -60.33 -39.83 88.48 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.21 -0.931 . . . . 0.0 111.665 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.1 m -80.2 -12.33 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 120.296 -1.502 . . . . 0.0 111.649 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -59.37 -32.01 69.73 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.113 -0.992 . . . . 0.0 109.567 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -79.24 -10.32 59.79 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.019 -1.051 . . . . 0.0 109.761 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -107.33 150.61 26.51 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.95 -1.094 . . . . 0.0 110.018 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.09 139.35 57.54 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.636 -0.665 . . . . 0.0 110.04 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 15.4 mtmm -52.59 -50.96 77.61 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.221 -0.924 . . . . 0.0 111.87 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -59.44 -22.97 68.51 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.407 1.404 . . . . 0.0 112.684 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -87.82 -1.2 57.82 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.759 -1.213 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -60.01 -40.28 88.74 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.232 -0.917 . . . . 0.0 109.84 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.49 93.13 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.984 -1.072 . . . . 0.0 110.634 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -31.58 59.43 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.166 -0.959 . . . . 0.0 109.554 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.71 85.39 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.092 -1.005 . . . . 0.0 109.649 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.68 -9.03 58.18 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.022 -1.049 . . . . 0.0 110.687 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 69.6 t -70.33 -45.96 73.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.808 -1.182 . . . . 0.0 109.261 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -90.79 114.7 27.14 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.395 -0.816 . . . . 0.0 109.158 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -77.49 123.95 6.67 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.1 -8.8 57.62 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.835 -1.391 . . . . 0.0 109.461 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.99 4.8 60.55 Favored Glycine 0 N--CA 1.484 1.854 0 N-CA-C 108.972 -1.651 . . . . 0.0 108.972 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -76.9 138.23 39.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.414 -1.051 . . . . 0.0 110.147 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.5 p -83.82 156.25 22.58 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.322 -0.861 . . . . 0.0 109.405 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 172' ' ' ARG . 44.6 ttt-85 -103.74 128.41 51.12 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.181 -0.95 . . . . 0.0 108.592 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -136.48 27.3 3.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.289 -0.882 . . . . 0.0 109.631 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 23.9 m120 . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.267 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.6 mtm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.37 139.21 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 120.576 -1.327 . . . . 0.0 109.582 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.12 -90.06 0.07 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.542 -0.724 . . . . 0.0 109.813 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -168.93 70.67 0.73 Allowed Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.859 -1.151 . . . . 0.0 110.454 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' O ' HD23 ' A' ' 82' ' ' LEU . 35.2 Cg_exo -59.95 149.63 82.9 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.77 1.646 . . . . 0.0 112.362 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.7 m -69.53 149.7 47.94 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.594 -0.691 . . . . 0.0 109.255 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -142.7 112.91 7.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.29 -0.881 . . . . 0.0 109.493 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.593 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 17.3 pt-20 -144.5 -30.36 0.46 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.036 -1.04 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' C ' ' CG ' ' A' ' 85' ' ' HIS . . . -98.91 101.62 13.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.994 -1.066 . . . . 0.0 110.643 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' NE2' ' N ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -176.45 126.97 0.19 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -72.22 -18.02 61.87 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 14.7 p90 -103.66 139.95 38.24 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 91' ' ' ALA . 38.1 p-10 -77.34 113.81 15.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.133 -0.979 . . . . 0.0 110.834 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.36 -31.1 69.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.722 -0.611 . . . . 0.0 110.451 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 94' ' ' SER . 71.3 mm-40 -59.9 -40.01 87.3 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.596 -1.315 . . . . 0.0 109.595 -178.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 88' ' ' ASP . . . -60.61 -44.77 95.92 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.791 -1.164 . . . . 0.0 108.409 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.8 tp -62.3 -50.94 69.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.135 -0.978 . . . . 0.0 108.864 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.42 -28.68 65.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 110.499 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 90' ' ' GLU . 58.5 m -59.56 -40.04 86.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.705 -1.247 . . . . 0.0 107.839 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -60.63 -43.82 97.07 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.4 t-105 -62.01 -50.81 70.55 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.559 -0.713 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 56.5 t0 -56.64 -38.15 71.75 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.461 -0.775 . . . . 0.0 109.782 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -83.15 -4.26 58.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.201 -0.937 . . . . 0.0 109.409 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.54 156.42 38.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.309 -0.87 . . . . 0.0 109.734 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 t -75.1 162.8 28.2 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.379 -0.826 . . . . 0.0 109.742 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.6 -40.0 90.18 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.242 -0.911 . . . . 0.0 109.388 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.8 p -60.39 -37.68 81.55 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.302 -0.874 . . . . 0.0 110.084 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.15 -39.97 88.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.109 -0.994 . . . . 0.0 109.407 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -65.97 -41.8 90.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.965 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -61.83 -43.88 97.95 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.377 -0.827 . . . . 0.0 109.973 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.73 -50.12 75.07 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.02 97.63 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.288 -0.882 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -59.93 -40.1 87.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.439 0.637 . . . . 0.0 109.692 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -61.72 -40.43 95.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.341 -0.849 . . . . 0.0 110.636 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -82.72 -7.51 59.65 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.875 -1.141 . . . . 0.0 112.026 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.473 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 20.9 tp -73.19 -45.69 8.04 Favored Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 120.452 -1.405 . . . . 0.0 112.583 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -68.88 -24.7 33.61 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 121.299 1.333 . . . . 0.0 112.291 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.71 -44.39 33.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.129 -0.982 . . . . 0.0 108.905 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.33 -42.61 84.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.281 -0.887 . . . . 0.0 108.733 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -67.91 -40.52 83.4 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.91 -43.64 95.33 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.0 88.59 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.428 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 47.6 t0 -59.85 -41.31 91.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.063 -1.023 . . . . 0.0 110.391 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.6 -40.11 94.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.001 -1.062 . . . . 0.0 109.258 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 69.3 mmm -69.1 -40.34 78.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.47 -0.769 . . . . 0.0 109.306 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.7 mt -66.13 -40.15 90.41 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.164 -0.96 . . . . 0.0 109.137 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -61.04 -38.57 86.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.269 -0.895 . . . . 0.0 109.695 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -69.82 -3.52 16.02 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.342 -0.848 . . . . 0.0 108.822 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 69.63 31.96 70.82 Favored Glycine 0 N--CA 1.492 2.418 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.0 mt -79.27 148.33 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.196 -1.179 . . . . 0.0 109.045 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -52.92 139.69 26.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.61 -1.306 . . . . 0.0 109.893 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 p -57.87 -43.5 86.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.666 -0.646 . . . . 0.0 110.006 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.0 -43.69 95.04 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.125 -0.984 . . . . 0.0 109.59 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.8 m -69.73 -41.53 75.17 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.247 -0.908 . . . . 0.0 109.383 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.95 -51.18 70.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.857 -0.527 . . . . 0.0 110.163 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -69.7 -38.52 77.01 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.023 -1.048 . . . . 0.0 109.705 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.39 98.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.923 -1.11 . . . . 0.0 109.861 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.9 m -63.64 -44.44 93.84 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.69 -1.256 . . . . 0.0 108.903 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 145' ' ' LEU . 55.4 t -60.67 -46.46 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.431 -0.793 . . . . 0.0 109.216 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.21 -35.78 76.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.426 -0.796 . . . . 0.0 109.776 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.56 -50.04 27.76 Favored Glycine 0 N--CA 1.486 2.011 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -69.57 -42.12 74.93 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.188 -1.184 . . . . 0.0 109.598 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.434 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.0 m-85 -103.23 138.21 40.34 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.357 -0.84 . . . . 0.0 110.755 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -84.51 61.18 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.975 -1.078 . . . . 0.0 109.299 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.3 m -129.9 158.7 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.543 -0.723 . . . . 0.0 109.99 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.0 m -75.26 131.87 40.65 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.321 -0.862 . . . . 0.0 109.702 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.56 90.02 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.08 -1.013 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.2 p -63.71 -40.02 95.73 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 110.409 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.5 m -65.02 -47.03 78.9 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.992 . . . . 0.0 110.282 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 134' ' ' VAL . 38.2 tp -58.59 -39.81 81.42 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.734 -0.603 . . . . 0.0 109.616 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -59.12 -47.97 83.34 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 109.947 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -60.41 -41.54 94.11 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.969 -1.082 . . . . 0.0 110.037 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.97 -34.23 74.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.341 -0.849 . . . . 0.0 109.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.1 -46.8 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.81 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -66.7 -30.93 71.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.053 -1.03 . . . . 0.0 109.287 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -59.92 -40.19 88.04 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.077 -1.014 . . . . 0.0 111.393 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.17 -12.72 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 120.683 -1.26 . . . . 0.0 111.369 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.72 -38.1 80.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.938 -1.101 . . . . 0.0 109.7 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -74.33 -8.85 57.65 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.505 -0.747 . . . . 0.0 109.695 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -111.68 141.61 45.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.527 -0.733 . . . . 0.0 109.665 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.469 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.64 146.04 50.27 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.482 -0.761 . . . . 0.0 109.612 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.409 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 6.7 mtmt -50.47 -50.02 74.19 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 120.707 -1.245 . . . . 0.0 110.97 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 71.8 Cg_exo -49.68 -41.77 44.85 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.248 1.965 . . . . 0.0 113.877 -178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 p-10 -89.1 5.54 44.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.646 -1.284 . . . . 0.0 111.021 -178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.44 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -56.36 -40.08 73.93 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.812 -1.18 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.19 80.45 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 120.85 -1.156 . . . . 0.0 109.979 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -79.13 -22.84 44.54 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.998 -1.064 . . . . 0.0 110.2 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -68.83 -39.53 79.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.03 -1.044 . . . . 0.0 111.239 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 67.0 mt -73.13 1.98 8.08 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.376 -0.827 . . . . 0.0 111.206 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 162' ' ' ALA . 32.0 m -66.17 -40.08 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.517 -1.364 . . . . 0.0 109.741 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.508 ' N ' HG23 ' A' ' 165' ' ' VAL . 35.7 p-10 -87.59 110.03 20.08 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -0.92 . . . . 0.0 109.608 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -97.55 132.26 10.91 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.477 HH11 ' HG2' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -85.79 120.45 27.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.103 -1.234 . . . . 0.0 108.782 179.754 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -173.05 92.95 0.09 OUTLIER Glycine 0 N--CA 1.489 2.184 0 C-N-CA 119.37 -1.395 . . . . 0.0 109.994 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.31 113.88 16.7 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.101 -1.235 . . . . 0.0 109.563 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 64.9 m -140.47 154.6 46.67 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.33 -0.856 . . . . 0.0 111.135 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -135.74 149.73 49.28 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.418 -0.801 . . . . 0.0 109.273 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -148.81 -164.49 2.04 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.042 -1.036 . . . . 0.0 109.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.797 179.499 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.487 1.388 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.53 140.39 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -151.33 -17.52 0.2 Allowed 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.927 -1.108 . . . . 0.0 109.017 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -169.54 70.68 0.67 Allowed Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.699 -0.626 . . . . 0.0 110.23 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -70.11 149.99 65.45 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 121.94 1.76 . . . . 0.0 110.722 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.5 m -61.05 140.06 57.93 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 108.815 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' C ' ' NE2' ' A' ' 85' ' ' HIS . 74.2 mt -137.27 56.63 1.77 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 121.117 -0.989 . . . . 0.0 110.535 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -135.61 -1.56 2.51 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.152 -0.967 . . . . 0.0 109.88 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.47 -26.78 14.72 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.99 -1.069 . . . . 0.0 110.9 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -64.44 121.3 14.04 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.106 -0.996 . . . . 0.0 110.185 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -76.37 -18.71 58.74 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 122.017 0.913 . . . . 0.0 108.661 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CD2' ' O ' ' A' ' 88' ' ' ASP . 52.7 p90 -92.43 168.96 10.93 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.501 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 20.1 p-10 -59.54 -153.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.26 -0.9 . . . . 0.0 109.276 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -135.56 -34.18 0.85 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.083 -1.011 . . . . 0.0 110.479 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' O ' ' CB ' ' A' ' 94' ' ' SER . 18.3 pt-20 -61.28 -39.08 89.1 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.211 -0.931 . . . . 0.0 111.08 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.37 73.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.135 -1.603 . . . . 0.0 111.906 -178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.9 tp -78.48 -54.14 6.48 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.626 -1.296 . . . . 0.0 111.08 -178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -67.99 -28.92 67.85 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.105 -0.997 . . . . 0.0 112.87 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 90' ' ' GLU . 48.1 t -60.47 -40.23 90.51 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.137 -1.602 . . . . 0.0 108.475 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.47 -43.18 97.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.49 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -60.09 -47.52 85.56 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.89 -40.15 87.77 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.515 -0.741 . . . . 0.0 110.07 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -87.72 -1.04 57.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.093 -1.004 . . . . 0.0 109.66 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.88 151.6 46.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.166 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.3 m -70.25 159.14 34.57 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.498 -0.751 . . . . 0.0 109.949 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 102' ' ' SER . 35.1 p-10 -59.89 -39.12 84.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.733 -0.604 . . . . 0.0 109.923 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 55.4 m -60.13 -40.21 88.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.65 -1.281 . . . . 0.0 110.059 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -65.09 -40.8 95.13 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 109.814 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 85.1 mtm180 -69.65 -40.26 76.59 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.328 -0.857 . . . . 0.0 109.762 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.475 ' HG2' HH11 ' A' ' 105' ' ' ARG . 15.2 ttt-85 -62.5 -41.46 98.85 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 119.575 -0.85 . . . . 0.0 110.343 -178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.56 -46.85 88.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 109.384 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.58 86.24 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.666 -1.271 . . . . 0.0 108.57 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.9 -38.04 81.12 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.18 -38.39 85.31 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.222 -0.924 . . . . 0.0 110.512 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -87.07 -8.15 57.36 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 18.6 tp -74.87 -36.97 2.51 Favored Pre-proline 0 N--CA 1.509 2.479 0 O-C-N 119.474 -2.016 . . . . 0.0 111.84 -177.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 20.2 Cg_exo -64.95 -33.3 52.31 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.677 2.252 . . . . 0.0 111.592 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.02 52.49 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.288 -0.882 . . . . 0.0 110.256 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 t -70.15 -41.03 78.9 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 120.719 -1.238 . . . . 0.0 109.12 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.56 -41.92 92.4 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.267 -0.895 . . . . 0.0 109.843 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.5 92.04 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.538 -0.726 . . . . 0.0 109.775 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.24 91.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.473 -0.767 . . . . 0.0 110.439 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 122' ' ' ASN . 39.2 t0 -59.77 -40.2 87.4 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.768 -1.207 . . . . 0.0 108.895 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.63 -40.37 95.33 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.196 -0.94 . . . . 0.0 110.582 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.9 mmt -72.68 -40.12 66.52 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.117 -0.99 . . . . 0.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.21 -40.04 96.36 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.319 -0.863 . . . . 0.0 110.085 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.408 ' OD1' ' OD1' ' A' ' 118' ' ' ASP . 17.3 m120 -65.19 -26.26 68.07 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.07 -1.019 . . . . 0.0 109.544 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -77.82 -0.3 26.69 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.5 28.3 65.88 Favored Glycine 0 N--CA 1.495 2.585 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.497 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.1 mt -78.51 141.66 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 120.81 -1.406 . . . . 0.0 108.922 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.8 p -53.01 138.91 29.38 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-O 121.92 0.867 . . . . 0.0 109.505 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.3 p -59.62 -41.31 90.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.248 -0.907 . . . . 0.0 110.616 -178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.11 -46.19 88.97 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.112 -0.992 . . . . 0.0 109.467 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.3 m -69.15 -40.99 77.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.166 -0.959 . . . . 0.0 109.581 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.48 69.35 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.297 -0.877 . . . . 0.0 110.518 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -68.84 -39.5 79.9 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.685 -1.259 . . . . 0.0 108.773 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -50.6 73.08 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.862 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -40.05 88.93 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.81 -1.181 . . . . 0.0 109.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.5 t -68.34 -42.5 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.2 -31.92 73.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.11 -0.994 . . . . 0.0 109.35 179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.07 13.51 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -66.16 -42.22 89.28 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.45 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.4 m-85 -104.7 127.16 52.39 Favored 'General case' 0 N--CA 1.5 2.066 0 CA-C-O 121.569 0.7 . . . . 0.0 109.815 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 70.75 7.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.808 -1.183 . . . . 0.0 109.475 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.51 158.16 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.5 m -68.74 127.3 32.56 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.247 -0.908 . . . . 0.0 108.754 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.06 87.26 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.527 -0.733 . . . . 0.0 109.322 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 89.5 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.968 -0.457 . . . . 0.0 110.84 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 79.3 m -64.07 -49.79 70.9 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.204 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.84 -40.43 88.47 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.354 -0.841 . . . . 0.0 109.709 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -60.27 -49.98 75.46 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 110.607 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.18 -40.77 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.728 -1.232 . . . . 0.0 109.552 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.45 -37.96 88.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.369 -0.832 . . . . 0.0 111.025 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -59.74 -47.62 84.94 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.017 -1.052 . . . . 0.0 110.693 -177.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -66.55 -38.98 88.26 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.17 -0.956 . . . . 0.0 110.03 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.59 -40.99 93.78 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.906 -1.121 . . . . 0.0 111.434 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -80.35 -13.1 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.269 -0.894 . . . . 0.0 111.015 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -58.53 -38.72 78.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.829 -1.169 . . . . 0.0 108.479 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -74.91 -6.4 49.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.625 -0.672 . . . . 0.0 109.746 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -109.09 149.27 29.55 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.446 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -59.62 139.4 57.23 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 88.0 mttt -57.24 -40.2 82.98 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.064 -1.022 . . . . 0.0 111.674 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 24.0 Cg_exo -62.61 -28.47 77.07 Favored 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 121.722 1.615 . . . . 0.0 112.177 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.48 ' CG ' ' HH ' ' A' ' 87' ' ' TYR . 87.1 m-20 -87.27 -2.28 58.51 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.297 -0.877 . . . . 0.0 109.3 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -60.13 -39.85 87.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.995 . . . . 0.0 109.762 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.23 -42.04 90.13 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.919 -1.113 . . . . 0.0 109.016 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.576 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -80.69 -24.05 39.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.325 -0.86 . . . . 0.0 109.935 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.38 96.39 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.924 -1.11 . . . . 0.0 110.715 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 79.7 mt -72.01 -19.1 61.91 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.14 -0.975 . . . . 0.0 111.632 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 162' ' ' ALA . 1.8 p -65.23 -33.37 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.553 -1.342 . . . . 0.0 109.476 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -91.29 120.74 32.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.154 -0.966 . . . . 0.0 109.024 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.44 57.61 2.45 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 168' ' ' ARG . 36.2 ttt-85 -79.84 -12.33 59.76 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -1.168 . . . . 0.0 108.453 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -144.19 3.33 1.44 Allowed Glycine 0 N--CA 1.494 2.522 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.86 156.89 28.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.133 -1.216 . . . . 0.0 110.023 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 66.1 p -77.83 163.28 26.21 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.009 -1.057 . . . . 0.0 108.845 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.417 ' CG ' ' OXT' ' A' ' 174' ' ' ASN . 23.6 ttt-85 -90.45 116.97 28.79 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.466 -0.771 . . . . 0.0 109.699 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -97.22 -16.09 20.55 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 174' ' ' ASN . 48.3 t-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.472 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 76' ' ' MET . 2.3 mmt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.36 -25.09 32.99 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 C-N-CA 119.633 -0.827 . . . . 0.0 111.013 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.29 -36.12 72.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.609 -1.307 . . . . 0.0 110.635 -175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -69.95 149.65 96.39 Favored Pre-proline 0 N--CA 1.503 2.194 0 N-CA-C 103.412 -2.81 . . . . 0.0 103.412 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -69.89 149.94 66.73 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 CA-C-N 119.941 1.014 . . . . 0.0 111.801 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -103.2 146.65 28.1 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.222 -0.924 . . . . 0.0 109.769 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 tp -162.05 66.75 0.25 Allowed 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.7 -1.25 . . . . 0.0 109.72 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -168.45 -38.23 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.374 -1.454 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.58 -12.12 59.86 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 110.065 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.732 ' CD2' HH12 ' A' ' 89' ' ' ARG . 0.0 OUTLIER -103.7 118.91 37.81 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.434 -0.791 . . . . 0.0 109.426 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.65 -18.74 65.55 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 9.0 p90 -107.41 82.75 1.71 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.675 -0.641 . . . . 0.0 109.295 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.0 138.85 58.43 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.308 -0.87 . . . . 0.0 109.123 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.732 HH12 ' CD2' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -157.63 114.93 3.01 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 122.584 1.183 . . . . 0.0 111.778 179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' SER . 18.3 pt-20 -81.48 -26.45 35.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.175 -0.953 . . . . 0.0 109.475 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.07 79.11 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.313 -0.867 . . . . 0.0 109.77 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.28 -50.51 71.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.929 -1.107 . . . . 0.0 108.671 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -67.22 -31.33 71.63 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' GLU . 36.8 t -60.34 -41.07 92.81 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.444 -1.41 . . . . 0.0 108.34 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -60.35 -40.3 90.24 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.191 -0.943 . . . . 0.0 108.988 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.401 ' O ' ' NH1' ' A' ' 104' ' ' ARG . 12.1 t-105 -61.36 -54.18 47.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 110.095 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.88 87.49 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.392 -0.817 . . . . 0.0 108.937 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -82.72 -1.29 50.95 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.408 -0.807 . . . . 0.0 109.499 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.25 153.87 42.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.089 -1.007 . . . . 0.0 109.73 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.6 m -74.2 164.85 26.1 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.168 -0.958 . . . . 0.0 110.024 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -60.08 -40.67 90.34 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.357 -0.839 . . . . 0.0 110.208 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 69.3 m -60.17 -39.99 88.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 109.208 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -62.17 -39.92 94.29 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.496 -0.752 . . . . 0.0 109.259 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.497 ' HG2' HH11 ' A' ' 104' ' ' ARG . 0.1 OUTLIER -63.79 -43.83 95.15 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.571 -0.706 . . . . 0.0 109.143 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -64.91 -40.23 94.74 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.569 -0.707 . . . . 0.0 109.768 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 tp -60.08 -50.69 72.7 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.976 -1.078 . . . . 0.0 109.208 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.83 95.64 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.941 -1.1 . . . . 0.0 108.701 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.27 -38.39 89.11 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.375 -0.828 . . . . 0.0 109.125 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -64.9 -39.84 94.16 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.964 -1.085 . . . . 0.0 111.826 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -88.91 -4.39 58.47 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.134 -0.979 . . . . 0.0 113.388 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 17.4 tp -77.92 -36.08 1.32 Allowed Pre-proline 0 N--CA 1.509 2.506 0 O-C-N 119.642 -1.911 . . . . 0.0 112.351 -177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 22.8 Cg_exo -64.08 -35.81 51.57 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.67 2.247 . . . . 0.0 112.107 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.76 -41.54 44.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.044 -1.035 . . . . 0.0 110.681 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.2 t -68.9 -45.68 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.725 -1.235 . . . . 0.0 109.114 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -62.21 -45.24 94.23 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 109.39 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.35 94.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.498 -0.751 . . . . 0.0 108.981 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.41 84.85 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.561 -0.712 . . . . 0.0 109.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 30.9 t0 -57.9 -46.72 84.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.609 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 48.9 mt-10 -63.0 -40.02 96.52 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.037 -1.039 . . . . 0.0 109.902 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 71.6 mtp -70.08 -40.14 75.18 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.041 -1.037 . . . . 0.0 110.255 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.44 -40.04 94.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 119' ' ' GLU . 46.6 p30 -65.44 -15.96 63.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.597 -1.315 . . . . 0.0 110.5 -178.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.423 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 56.9 tt0 -80.07 -4.23 51.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.014 -1.054 . . . . 0.0 109.363 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.09 25.21 64.59 Favored Glycine 0 N--CA 1.496 2.662 0 O-C-N 120.943 -1.098 . . . . 0.0 110.944 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -77.31 146.27 8.78 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 120.78 -1.424 . . . . 0.0 108.977 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 89.5 p -54.48 140.12 35.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.77 -1.206 . . . . 0.0 109.906 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 p -59.0 -42.43 90.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.493 -0.754 . . . . 0.0 109.911 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -60.04 -46.07 90.73 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.189 -0.944 . . . . 0.0 110.027 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 86.9 m -67.47 -44.05 79.53 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.069 -1.02 . . . . 0.0 109.168 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -50.0 75.34 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.064 -1.022 . . . . 0.0 110.655 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -67.9 -39.44 83.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.45 -1.406 . . . . 0.0 109.273 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.6 -47.42 86.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.093 -1.005 . . . . 0.0 109.285 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 99.1 m -61.34 -47.02 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.171 -0.955 . . . . 0.0 110.187 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.88 -47.22 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.112 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -63.25 -28.15 69.83 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.839 -1.163 . . . . 0.0 109.018 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.9 -49.61 22.08 Favored Glycine 0 N--CA 1.486 2.001 0 C-N-CA 119.055 -1.545 . . . . 0.0 109.454 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -71.95 -39.98 68.99 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.981 -1.305 . . . . 0.0 109.026 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.7 m-85 -99.1 135.57 40.32 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.308 -0.87 . . . . 0.0 109.405 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -82.8 67.03 8.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.457 -0.777 . . . . 0.0 109.379 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.65 158.05 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.496 -0.752 . . . . 0.0 109.089 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.4 t -72.45 130.33 40.42 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.489 -0.757 . . . . 0.0 109.75 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.27 87.84 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.431 -0.793 . . . . 0.0 109.726 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 70.4 p -65.32 -39.92 93.05 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.2 -0.938 . . . . 0.0 110.336 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 61.9 m -63.21 -50.08 71.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.827 -1.171 . . . . 0.0 108.825 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.94 -40.49 89.14 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.452 -0.78 . . . . 0.0 109.348 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -60.36 -49.68 76.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.047 -1.033 . . . . 0.0 110.023 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.17 -40.47 90.05 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.907 -1.121 . . . . 0.0 110.363 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -68.35 -37.2 80.27 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.272 -0.893 . . . . 0.0 111.487 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -59.72 -48.76 80.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.71 -1.244 . . . . 0.0 109.914 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -69.87 -33.39 72.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.251 -0.906 . . . . 0.0 109.775 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -60.07 -41.97 93.58 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.771 -1.206 . . . . 0.0 111.06 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.21 -10.03 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.768 -1.208 . . . . 0.0 111.511 -177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.62 -40.12 74.81 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -76.43 -7.02 54.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.085 -1.009 . . . . 0.0 109.583 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -106.9 148.73 28.24 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.401 -0.812 . . . . 0.0 110.023 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.536 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -70.92 150.21 45.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.404 -0.81 . . . . 0.0 110.226 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 43.2 mttm -52.04 -53.29 53.5 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.589 -0.694 . . . . 0.0 110.806 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 18.1 Cg_endo -58.64 -28.38 86.02 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.091 1.194 . . . . 0.0 111.093 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 48.3 t0 -82.43 -19.06 39.74 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.763 -0.586 . . . . 0.0 109.826 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.536 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 44.7 m0 -54.14 -38.4 65.42 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.734 -1.229 . . . . 0.0 109.785 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.68 82.1 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.791 -1.193 . . . . 0.0 108.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.698 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -77.68 -38.39 47.59 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.445 -0.785 . . . . 0.0 109.566 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.27 -36.27 81.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.039 -1.038 . . . . 0.0 111.056 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.64 -15.93 63.68 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.123 -0.985 . . . . 0.0 111.27 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 162' ' ' ALA . 3.0 m -69.65 -20.02 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.746 -1.221 . . . . 0.0 109.393 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -84.39 151.64 24.56 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.313 -0.867 . . . . 0.0 109.191 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -86.13 -152.76 20.9 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -71.36 -38.04 71.62 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.154 -1.204 . . . . 0.0 110.088 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -155.76 130.37 2.75 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 108.836 -1.706 . . . . 0.0 108.836 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.99 111.39 15.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.053 -1.263 . . . . 0.0 109.589 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 82.8 p -68.37 -36.06 78.64 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.526 -0.734 . . . . 0.0 109.801 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.62 163.32 26.33 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 109.74 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -85.57 135.68 33.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.227 -0.92 . . . . 0.0 109.105 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.649 -1.167 . . . . 0.0 109.183 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 97.0 mmm . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.133 0.492 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.4 pt -60.04 140.08 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.87 -1.144 . . . . 0.0 109.449 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.12 -83.54 0.21 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.013 -1.054 . . . . 0.0 108.784 178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.585 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 44.9 mtt180 -139.96 42.09 0.5 Allowed Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.256 -0.902 . . . . 0.0 109.301 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 26.5 Cg_endo -68.91 149.92 72.73 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.743 1.629 . . . . 0.0 111.163 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.7 m -59.93 141.82 54.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.623 -0.673 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -87.29 109.52 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.449 -0.782 . . . . 0.0 109.171 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.525 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 84.6 tt0 -151.62 147.25 26.53 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.947 -1.096 . . . . 0.0 108.327 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.19 108.2 1.5 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.986 -1.071 . . . . 0.0 109.216 -179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -80.57 -64.5 1.17 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -128.76 -7.76 5.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.51 ' HH ' ' HE1' ' A' ' 93' ' ' TRP . 19.5 p90 -143.69 133.72 24.18 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -96.79 97.55 9.41 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.64 -1.287 . . . . 0.0 109.043 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -137.54 68.53 1.41 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.354 -0.841 . . . . 0.0 109.696 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 90' ' ' GLU . 0.6 OUTLIER -61.28 -39.61 91.06 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.899 -1.126 . . . . 0.0 109.007 179.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' N ' ' OE1' ' A' ' 90' ' ' GLU . . . -59.89 -40.53 89.06 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.468 -0.77 . . . . 0.0 110.752 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.02 -51.28 69.89 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.94 -1.1 . . . . 0.0 109.58 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.51 ' HE1' ' HH ' ' A' ' 87' ' ' TYR . 82.6 m95 -69.82 -33.82 72.84 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.33 -0.856 . . . . 0.0 109.717 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.5 m -60.05 -40.29 88.9 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.119 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -60.44 -39.52 87.8 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.238 -0.914 . . . . 0.0 109.546 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -59.25 -44.24 92.39 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 108.965 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -57.47 -39.65 76.85 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.398 -0.814 . . . . 0.0 109.634 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -88.88 -2.98 58.86 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.127 -0.983 . . . . 0.0 110.016 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.85 160.81 27.63 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.089 -1.007 . . . . 0.0 108.995 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.0 m -70.0 151.93 45.0 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.149 -0.969 . . . . 0.0 109.278 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 7.9 t70 -60.05 -41.76 93.02 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.243 -0.91 . . . . 0.0 110.048 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.3 m -60.01 -39.98 87.68 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.012 -1.055 . . . . 0.0 109.618 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.28 -39.96 88.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.058 -1.027 . . . . 0.0 110.211 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 84.5 mtm180 -68.2 -40.08 82.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.176 . . . . 0.0 109.438 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -66.53 -39.88 88.85 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.094 -1.004 . . . . 0.0 109.192 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.13 -46.49 88.19 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.934 -1.104 . . . . 0.0 108.06 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.15 93.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.989 -1.069 . . . . 0.0 109.147 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.38 -40.07 92.97 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.253 -0.904 . . . . 0.0 109.36 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.82 -40.99 99.1 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.488 -0.757 . . . . 0.0 110.898 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.474 ' O ' HG23 ' A' ' 114' ' ' VAL . 71.5 m95 -82.25 -5.37 58.48 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.894 -1.129 . . . . 0.0 110.345 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 7.3 tp -73.38 -47.12 7.65 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 120.679 -1.263 . . . . 0.0 112.455 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 42.3 Cg_endo -64.03 -20.47 67.73 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 CA-C-N 120.856 1.341 . . . . 0.0 111.598 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.19 18.1 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.028 -1.045 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 110' ' ' TRP . 45.6 t -69.19 -42.83 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.142 -0.974 . . . . 0.0 110.676 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.79 -38.46 89.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.904 -1.122 . . . . 0.0 110.626 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.42 94.68 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.906 -1.121 . . . . 0.0 109.687 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.08 88.96 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.177 -0.952 . . . . 0.0 110.045 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -59.93 -40.56 89.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.914 -1.116 . . . . 0.0 109.257 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 76.5 tt0 -60.61 -43.37 97.55 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.258 -0.901 . . . . 0.0 108.72 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.4 mmm -70.66 -40.49 72.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.61 -0.681 . . . . 0.0 110.807 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.0 mt -68.19 -38.45 82.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.987 -1.071 . . . . 0.0 110.882 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 122' ' ' ASN . 42.6 p30 -68.97 -13.5 62.49 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.81 -1.181 . . . . 0.0 109.821 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.415 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 53.0 tt0 -93.33 7.37 44.7 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.83 28.39 60.97 Favored Glycine 0 N--CA 1.491 2.307 0 O-C-N 121.391 -0.818 . . . . 0.0 111.968 178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.9 mm -80.48 140.07 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.92 -1.341 . . . . 0.0 108.48 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.4 t -55.62 138.53 46.86 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.222 -0.924 . . . . 0.0 108.895 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -56.17 -42.93 77.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -0.867 . . . . 0.0 109.738 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -59.86 -48.97 79.53 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.07 -1.019 . . . . 0.0 108.882 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 93.7 m -66.14 -41.1 90.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.421 -0.799 . . . . 0.0 109.275 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.99 -53.23 60.3 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.301 -0.874 . . . . 0.0 110.223 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -68.66 -39.48 80.63 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.988 -1.07 . . . . 0.0 109.419 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.31 93.28 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.832 -1.168 . . . . 0.0 109.021 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 96.2 m -61.62 -44.83 96.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.551 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.57 -45.47 78.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 O-C-N 121.473 -0.767 . . . . 0.0 109.654 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.67 -29.38 70.38 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.32 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.73 -48.6 21.45 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -70.08 -40.57 74.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -1.175 . . . . 0.0 109.296 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.492 ' O ' ' O ' ' A' ' 135' ' ' ALA . 88.8 m-85 -99.32 139.4 35.03 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.189 -0.945 . . . . 0.0 108.946 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -83.58 62.81 7.04 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.705 -1.247 . . . . 0.0 109.721 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.5 m -127.97 147.06 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.3 p -70.15 137.65 51.22 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.471 -0.768 . . . . 0.0 109.977 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.11 92.26 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.987 . . . . 0.0 110.961 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.1 p -61.45 -40.11 93.3 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.163 -0.961 . . . . 0.0 110.093 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 98.8 m -66.61 -51.4 56.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.352 -0.843 . . . . 0.0 109.866 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.59 -42.19 96.21 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.692 0.758 . . . . 0.0 109.197 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -60.08 -49.81 76.19 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.536 -0.728 . . . . 0.0 110.239 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -62.17 -41.47 98.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.124 -0.985 . . . . 0.0 110.676 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -68.47 -38.38 81.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.428 -0.795 . . . . 0.0 110.555 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -59.16 -44.08 92.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.335 -0.853 . . . . 0.0 110.397 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -69.71 -39.34 76.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.407 -1.433 . . . . 0.0 109.22 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -60.05 -40.75 90.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.533 -0.729 . . . . 0.0 111.565 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -79.62 -13.34 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.622 -1.299 . . . . 0.0 110.556 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -58.73 -39.02 79.64 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.107 -0.996 . . . . 0.0 108.841 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 29.4 tptt -76.15 -9.53 58.7 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.27 -0.894 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.86 149.44 26.53 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.303 -0.873 . . . . 0.0 110.051 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.42 149.39 50.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.782 -0.574 . . . . 0.0 109.64 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.442 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 28.5 mmtm -49.61 -50.02 69.0 Favored Pre-proline 0 N--CA 1.487 1.417 0 O-C-N 121.288 -0.883 . . . . 0.0 111.269 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 42.2 Cg_endo -63.84 -24.08 68.34 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 CA-C-N 120.967 1.381 . . . . 0.0 112.044 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -81.59 -8.21 59.69 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.232 -0.917 . . . . 0.0 109.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -59.88 -40.1 87.53 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.951 -1.093 . . . . 0.0 109.896 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.49 90.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.098 -1.001 . . . . 0.0 109.784 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.91 61.18 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.429 -0.794 . . . . 0.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.47 79.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.145 -0.972 . . . . 0.0 111.131 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.09 -4.45 35.66 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.964 -1.085 . . . . 0.0 111.04 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.01 -70.64 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.615 -1.303 . . . . 0.0 109.884 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -105.35 131.19 53.09 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.396 -0.815 . . . . 0.0 109.665 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.26 178.87 43.6 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 108.945 -1.662 . . . . 0.0 108.945 179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -82.57 129.79 34.99 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.93 -1.335 . . . . 0.0 109.613 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -161.65 119.65 0.9 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.08 -70.38 0.52 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.985 -1.303 . . . . 0.0 109.389 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 61.5 m -146.01 -95.94 0.09 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -89.86 73.58 7.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.143 -0.973 . . . . 0.0 109.609 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -93.62 129.46 39.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.331 -0.855 . . . . 0.0 109.217 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.363 179.555 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.9 mtm . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.712 0.768 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.3 pt -61.06 144.12 14.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 121.061 -1.025 . . . . 0.0 110.339 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -136.12 111.48 9.13 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 ptm180 -59.94 -28.74 4.76 Favored Pre-proline 0 N--CA 1.501 2.109 0 C-N-CA 118.231 -1.387 . . . . 0.0 114.38 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 51.8 Cg_exo -59.06 -33.09 98.48 Favored 'Trans proline' 0 N--CA 1.507 2.309 0 CA-C-N 121.928 1.724 . . . . 0.0 111.108 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.7 m -69.9 141.1 53.19 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.046 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 4.8 mt -147.21 -53.31 0.22 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.607 -1.308 . . . . 0.0 109.065 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -91.05 111.86 23.51 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.821 -1.175 . . . . 0.0 109.468 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -175.89 16.76 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -158.26 -165.15 1.63 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.172 -0.955 . . . . 0.0 109.744 -178.773 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -108.47 38.36 2.26 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.237 -0.914 . . . . 0.0 110.671 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.547 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 2.2 p90 -170.65 142.92 2.09 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.878 -1.139 . . . . 0.0 108.572 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -137.12 91.53 2.63 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.843 -1.161 . . . . 0.0 109.215 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -97.53 102.38 14.13 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.275 -0.89 . . . . 0.0 109.398 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.17 -39.86 75.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.313 -0.867 . . . . 0.0 109.13 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.05 94.81 Favored 'General case' 0 N--CA 1.493 1.715 0 CA-C-O 121.17 0.509 . . . . 0.0 110.492 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.29 -52.62 64.51 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.005 -1.059 . . . . 0.0 110.188 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -69.33 -39.79 77.99 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.1 m -59.71 -40.32 87.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.834 -1.166 . . . . 0.0 110.124 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -60.48 -40.68 92.17 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.466 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -61.47 -47.39 85.9 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.802 -1.186 . . . . 0.0 108.211 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 50.4 t0 -57.08 -36.88 71.11 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.577 -0.702 . . . . 0.0 109.459 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -82.55 -7.14 59.65 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.183 -0.948 . . . . 0.0 109.662 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.05 151.56 44.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.173 -0.954 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.1 m -71.66 154.4 41.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.45 -0.781 . . . . 0.0 110.439 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.22 -40.4 90.04 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 110.177 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -60.08 -40.42 89.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.138 -0.976 . . . . 0.0 109.985 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.2 -40.16 95.49 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.557 -1.339 . . . . 0.0 108.923 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.559 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.0 mtt180 -64.28 -40.01 95.11 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.606 -0.683 . . . . 0.0 109.763 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' HG2' HH11 ' A' ' 105' ' ' ARG . 4.0 mmt-85 -60.25 -41.7 93.74 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.999 -1.063 . . . . 0.0 109.933 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.84 -46.9 88.77 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.33 -0.856 . . . . 0.0 109.273 179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.64 94.73 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.26 -0.9 . . . . 0.0 109.923 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.04 -39.38 85.72 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.534 -0.729 . . . . 0.0 109.84 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -64.71 -39.9 94.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.851 -1.156 . . . . 0.0 110.611 -178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.445 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 75.4 m95 -81.9 -9.66 59.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.403 -0.811 . . . . 0.0 111.795 -178.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.463 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 18.1 tp -74.59 -45.76 5.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.398 -1.439 . . . . 0.0 112.323 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 61.3 Cg_endo -67.78 -24.42 40.65 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 CA-C-N 120.992 1.39 . . . . 0.0 112.146 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.15 -40.73 59.36 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.71 -1.244 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.88 -40.65 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.995 -1.065 . . . . 0.0 108.966 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' ' CZ3' ' A' ' 160' ' ' TRP . 94.9 mm-40 -66.25 -40.15 89.98 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.551 -0.718 . . . . 0.0 110.362 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.24 73.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.261 -0.899 . . . . 0.0 110.136 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.22 91.27 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.273 -0.892 . . . . 0.0 109.274 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -59.41 -41.44 89.49 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.323 -0.861 . . . . 0.0 109.121 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.13 -42.07 94.04 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 120.957 -1.089 . . . . 0.0 109.693 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.9 mtp -67.78 -39.12 84.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.269 -0.894 . . . . 0.0 109.704 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.01 -29.87 69.82 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.471 -0.768 . . . . 0.0 109.251 -179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.62 -38.76 85.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.595 -0.69 . . . . 0.0 109.241 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -72.6 0.06 11.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.415 -0.803 . . . . 0.0 109.077 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.0 62.64 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.71 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -78.84 142.88 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.962 -1.316 . . . . 0.0 108.643 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.0 p -51.49 139.93 18.98 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.991 -1.068 . . . . 0.0 110.214 -178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 p -58.68 -42.65 88.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.834 -0.541 . . . . 0.0 110.574 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -59.06 -45.03 91.83 Favored 'General case' 0 C--N 1.302 -1.493 0 C-N-CA 119.15 -1.02 . . . . 0.0 108.911 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.7 m -68.3 -43.38 77.79 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.32 -0.863 . . . . 0.0 109.977 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 134' ' ' VAL . . . -60.0 -49.82 76.15 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.04 -39.47 75.72 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.635 -1.291 . . . . 0.0 109.808 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -48.47 81.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.048 -1.033 . . . . 0.0 109.779 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.9 m -63.65 -44.24 94.4 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 118.522 -1.271 . . . . 0.0 109.2 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 130' ' ' ALA . 54.3 t -60.48 -45.4 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.391 -0.818 . . . . 0.0 109.485 -179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.05 -29.31 69.64 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.144 -0.973 . . . . 0.0 109.247 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.22 -50.25 17.75 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -68.86 -41.74 78.03 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 120.854 -1.38 . . . . 0.0 109.494 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -102.0 136.05 42.51 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.519 -0.738 . . . . 0.0 109.266 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -82.26 63.93 6.68 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.53 -0.731 . . . . 0.0 109.563 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.5 m -130.36 158.4 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.0 m -74.96 130.02 38.66 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.924 -1.11 . . . . 0.0 109.97 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.85 -40.82 89.85 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.1 m -62.26 -39.93 94.52 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.335 -0.853 . . . . 0.0 109.948 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 49.2 m -64.72 -49.34 71.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.076 -1.015 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.51 -43.84 97.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.056 -1.027 . . . . 0.0 110.006 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -60.27 -46.09 91.04 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.23 -0.919 . . . . 0.0 110.566 -178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.25 -46.9 88.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.722 -1.236 . . . . 0.0 110.641 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.445 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 45.2 mtmt -69.21 -30.45 68.63 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.827 -1.171 . . . . 0.0 110.74 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -59.94 -47.33 86.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.786 -1.196 . . . . 0.0 109.996 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -68.78 -35.22 76.78 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.774 -1.204 . . . . 0.0 109.673 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.08 -39.92 87.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.47 -0.769 . . . . 0.0 110.925 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.403 ' H ' HG22 ' A' ' 152' ' ' VAL . 29.2 m -81.76 -9.93 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.57 -1.331 . . . . 0.0 110.351 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -60.0 -39.96 87.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.861 -1.149 . . . . 0.0 110.709 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.14 -4.27 52.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.567 -1.333 . . . . 0.0 109.464 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -103.92 145.73 29.7 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.585 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -60.37 140.12 57.32 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.132 -0.98 . . . . 0.0 109.54 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 9.8 mtpm? -52.03 -50.14 80.22 Favored Pre-proline 0 C--N 1.301 -1.523 0 O-C-N 121.329 -0.857 . . . . 0.0 111.509 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 33.8 Cg_endo -61.61 -22.46 74.49 Favored 'Trans proline' 0 N--CA 1.505 2.173 0 C-N-CA 121.886 1.724 . . . . 0.0 113.374 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.585 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 9.4 p30 -89.98 0.04 57.32 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.967 -1.083 . . . . 0.0 109.649 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.474 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 31.1 m0 -57.57 -39.52 76.92 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.572 -0.705 . . . . 0.0 109.912 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -51.47 -47.08 63.28 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.681 -1.262 . . . . 0.0 109.392 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.45 -32.11 62.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.985 -1.072 . . . . 0.0 109.616 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 166' ' ' ASP . . . -60.01 -39.01 84.31 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.96 -1.088 . . . . 0.0 109.916 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.42 -40.51 97.39 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.117 -0.989 . . . . 0.0 109.094 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.87 -41.8 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 120.83 -1.169 . . . . 0.0 109.141 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 163' ' ' ALA . 65.1 t0 -90.02 119.05 30.04 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.397 -0.814 . . . . 0.0 109.984 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -96.21 41.86 2.34 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -82.68 125.27 31.04 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.281 -1.129 . . . . 0.0 109.945 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -85.49 145.37 21.09 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.1 -41.23 61.96 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.053 -1.263 . . . . 0.0 109.805 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 78.3 p -154.89 162.55 41.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.379 -0.826 . . . . 0.0 109.649 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -97.44 111.87 23.95 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-O 121.835 0.826 . . . . 0.0 109.92 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -144.78 -19.08 0.52 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.352 -0.843 . . . . 0.0 109.277 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.672 -1.156 . . . . 0.0 110.416 -179.244 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.404 ' SD ' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.77 140.31 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.0 109.575 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.1 133.32 44.1 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.015 -1.053 . . . . 0.0 110.233 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' HG2' ' H ' ' A' ' 79' ' ' ARG . 3.9 mmt180 -60.39 149.44 76.93 Favored Pre-proline 0 N--CA 1.485 1.306 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -70.14 149.95 65.19 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 121.993 1.795 . . . . 0.0 110.696 176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -60.88 139.88 57.86 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.429 -1.419 . . . . 0.0 107.614 176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.6 mt -99.65 122.16 42.28 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.741 -1.224 . . . . 0.0 109.638 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.504 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 40.7 tt0 -146.42 -86.13 0.11 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.397 -0.814 . . . . 0.0 108.914 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.67 141.59 55.3 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.621 -1.622 . . . . 0.0 106.621 178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' ND1' ' NE ' ' A' ' 89' ' ' ARG . 88.0 m-70 -143.4 65.36 1.32 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.958 -1.089 . . . . 0.0 112.432 -177.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.15 -39.24 89.33 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -122.3 156.11 34.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.31 116.08 17.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.692 -1.255 . . . . 0.0 108.873 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.679 ' CD ' ' H ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -70.11 -28.06 65.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.605 -0.685 . . . . 0.0 110.699 -178.41 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 94' ' ' SER . 8.9 pt-20 -58.2 -38.55 76.96 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.672 -1.268 . . . . 0.0 109.433 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.42 -46.46 88.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.824 -1.173 . . . . 0.0 109.963 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.84 -51.89 67.37 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.951 -1.093 . . . . 0.0 108.868 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -69.24 -31.75 70.51 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -0.853 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' GLU . 47.6 t -59.95 -40.2 88.17 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.241 -1.537 . . . . 0.0 109.201 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.55 -40.02 95.5 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.1 t-105 -59.91 -45.68 91.78 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.209 -0.932 . . . . 0.0 109.045 179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 39.3 t0 -58.62 -37.83 76.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.233 -0.917 . . . . 0.0 109.235 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -85.95 -5.93 59.14 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.229 -0.92 . . . . 0.0 109.636 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.93 150.53 48.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.286 -0.884 . . . . 0.0 109.658 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -74.43 161.63 29.63 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.112 -0.992 . . . . 0.0 108.926 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 102' ' ' SER . 36.8 p-10 -60.06 -38.69 83.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.264 -0.898 . . . . 0.0 109.103 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.561 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 65.1 m -60.06 -40.27 88.88 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.228 -0.92 . . . . 0.0 109.516 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.72 -39.97 94.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.484 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.403 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -67.11 -39.87 86.77 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' A' ' 105' ' ' ARG . 41.0 ttt-85 -60.49 -47.12 87.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.676 -0.64 . . . . 0.0 110.153 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 43.5 tp -60.04 -50.05 75.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.88 -1.138 . . . . 0.0 109.11 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.81 94.18 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.661 -1.274 . . . . 0.0 109.608 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.18 -40.0 92.28 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.607 -0.683 . . . . 0.0 110.154 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -65.81 -40.08 91.51 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.469 -0.77 . . . . 0.0 111.284 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -80.85 -10.57 59.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.958 -1.089 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 56.9 tp -72.85 -48.4 8.3 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 120.565 -1.334 . . . . 0.0 111.563 -179.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 49.3 Cg_endo -64.79 -25.51 60.69 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 121.731 1.621 . . . . 0.0 112.041 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.48 62.6 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.968 -1.083 . . . . 0.0 109.257 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 57.4 t -69.95 -42.46 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.373 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -64.38 -41.04 96.91 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.232 -0.918 . . . . 0.0 109.885 -178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.79 -40.7 83.9 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.133 -0.98 . . . . 0.0 109.496 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.43 90.48 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.242 -0.911 . . . . 0.0 109.497 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -60.35 -41.5 93.76 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.516 -0.74 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.48 -41.15 93.61 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.498 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.6 mmt -69.91 -40.24 75.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 109.306 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -40.15 96.71 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.929 -1.107 . . . . 0.0 109.161 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -63.68 -40.1 95.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.462 -0.774 . . . . 0.0 109.73 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.25 -3.4 29.81 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.67 36.39 33.37 Favored Glycine 0 N--CA 1.495 2.623 0 O-C-N 121.442 -0.786 . . . . 0.0 113.533 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.455 ' N ' HD12 ' A' ' 125' ' ' ILE . 1.9 mp -78.73 141.05 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.337 -1.684 . . . . 0.0 107.509 177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.7 m -49.26 140.02 10.47 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.057 -1.027 . . . . 0.0 109.268 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.7 p -57.52 -43.67 84.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.079 -1.013 . . . . 0.0 110.085 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -59.94 -42.76 94.72 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.817 -1.177 . . . . 0.0 109.223 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.095 -1.003 . . . . 0.0 110.63 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.23 74.55 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.299 -0.876 . . . . 0.0 111.318 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -67.88 -40.12 83.59 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 109.707 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.47 89.28 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.102 -0.999 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.8 m -60.01 -44.96 94.22 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.075 -1.016 . . . . 0.0 110.291 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 145' ' ' LEU . 54.7 t -61.16 -46.06 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.019 -1.051 . . . . 0.0 109.591 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.03 -29.34 69.66 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.688 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.45 -53.45 8.7 Favored Glycine 0 N--CA 1.482 1.734 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -70.52 -40.27 73.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.182 -1.187 . . . . 0.0 109.805 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 135' ' ' ALA . 76.5 m-85 -97.99 135.12 40.14 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -88.07 61.32 6.25 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.929 -1.107 . . . . 0.0 108.922 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.79 159.95 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.595 -0.691 . . . . 0.0 109.388 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.0 m -71.76 128.97 37.49 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.403 -0.811 . . . . 0.0 109.179 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.79 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.452 -0.78 . . . . 0.0 109.687 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 93.1 p -61.5 -39.98 92.91 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.089 -1.007 . . . . 0.0 110.301 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.4 m -63.45 -50.02 71.39 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.907 -1.121 . . . . 0.0 110.228 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 134' ' ' VAL . 57.0 tp -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.494 -0.754 . . . . 0.0 109.536 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -59.12 -49.76 76.62 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.323 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -60.84 -42.42 97.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.143 -0.973 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.83 -34.72 74.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.258 -0.901 . . . . 0.0 110.973 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -59.95 -49.6 77.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.041 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -62.74 -39.38 93.93 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.648 -1.283 . . . . 0.0 109.382 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.85 -39.73 86.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.616 -0.678 . . . . 0.0 111.919 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -77.2 -16.6 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 120.522 -1.361 . . . . 0.0 112.043 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -58.54 -38.5 77.91 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.546 -1.346 . . . . 0.0 109.526 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -73.32 -8.07 54.28 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.496 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -106.81 156.24 18.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.133 -0.98 . . . . 0.0 109.057 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.578 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -61.89 154.14 27.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.407 -0.808 . . . . 0.0 109.967 -179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 7.3 mtmp? -66.35 -40.02 31.46 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 120.675 -1.266 . . . . 0.0 112.104 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 93.7 Cg_endo -80.35 -23.14 6.41 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.813 1.675 . . . . 0.0 113.953 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 41.9 p-10 -84.88 1.92 44.94 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.752 -1.218 . . . . 0.0 109.347 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.0 m0 -59.39 -40.07 85.42 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.436 -0.79 . . . . 0.0 108.976 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.0 -46.6 87.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.667 -0.646 . . . . 0.0 110.702 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.49 -31.15 47.66 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.957 -1.089 . . . . 0.0 110.085 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.61 83.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.308 -0.87 . . . . 0.0 110.516 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 166' ' ' ASP . 94.6 mt -69.74 -29.47 66.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.91 -1.118 . . . . 0.0 109.959 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 165' ' ' VAL . 45.7 t -70.39 45.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.811 -1.181 . . . . 0.0 109.467 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 164' ' ' LEU . 98.2 m-20 -87.17 141.61 28.52 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.189 -0.944 . . . . 0.0 109.193 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -54.45 168.86 1.65 Allowed Glycine 0 N--CA 1.496 2.682 0 N-CA-C 108.963 -1.655 . . . . 0.0 108.963 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 35.5 mtm-85 -82.65 139.22 33.85 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.028 -1.278 . . . . 0.0 109.313 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -75.59 126.9 8.77 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 172' ' ' ARG . . . -80.89 2.4 26.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.494 -1.004 . . . . 0.0 109.09 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 55.0 p -51.66 94.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.645 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' ALA . 8.3 tpp180 -62.81 -40.0 96.04 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.444 -0.785 . . . . 0.0 109.838 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -89.87 124.2 34.49 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.162 -0.961 . . . . 0.0 109.043 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.85 -1.071 . . . . 0.0 108.575 179.631 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.1 ttt . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 pt -60.22 140.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 121.16 -0.963 . . . . 0.0 109.174 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.26 -98.85 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -59.91 149.94 71.16 Favored Pre-proline 0 N--CA 1.487 1.403 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -69.93 150.4 67.15 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 120.826 1.017 . . . . 0.0 112.12 -179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.2 m -153.49 105.06 2.8 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 tt -147.95 127.44 13.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.863 -1.148 . . . . 0.0 111.513 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 92.9 mt-10 -145.94 112.4 5.87 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.75 79.53 0.19 Allowed 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 122.311 1.053 . . . . 0.0 108.269 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -58.11 -52.94 63.46 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 85' ' ' HIS . 94.6 m-20 -144.25 -2.0 0.91 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.772 -0.58 . . . . 0.0 109.572 179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 15.3 p90 -157.2 167.0 31.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.481 -0.762 . . . . 0.0 108.954 -178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -86.12 125.96 33.86 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -75.14 -20.81 59.21 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 111.226 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -58.34 -39.8 80.46 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.211 -0.93 . . . . 0.0 110.738 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.57 92.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.982 -1.074 . . . . 0.0 109.369 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.3 tp -69.99 -42.2 73.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.414 -0.803 . . . . 0.0 109.448 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -69.85 -29.47 66.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.483 -0.761 . . . . 0.0 109.607 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -59.84 -40.08 87.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.783 -1.198 . . . . 0.0 108.75 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -61.6 -40.39 94.66 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 108.636 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.8 t-105 -61.33 -48.79 79.72 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.372 -0.83 . . . . 0.0 108.813 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -58.05 -35.9 72.01 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.393 -0.817 . . . . 0.0 109.522 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -80.95 -6.19 58.42 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.324 -0.86 . . . . 0.0 108.847 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.47 150.82 44.52 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 121.396 0.617 . . . . 0.0 109.624 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.8 m -74.26 161.28 30.07 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 32.3 p-10 -59.57 -39.7 84.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.99 -1.069 . . . . 0.0 109.581 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 85.6 p -60.44 -40.14 90.01 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.229 -0.919 . . . . 0.0 109.377 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -65.43 -41.49 93.44 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.492 -0.755 . . . . 0.0 109.889 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 101' ' ' ASP . 86.0 mtm180 -66.58 -40.29 88.88 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.893 -1.129 . . . . 0.0 109.51 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.71 -40.1 96.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.399 -0.813 . . . . 0.0 109.369 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.14 -43.31 99.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.116 -0.99 . . . . 0.0 109.155 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.29 90.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.782 -1.199 . . . . 0.0 108.811 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.24 -40.07 96.41 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.394 -0.817 . . . . 0.0 110.447 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -63.68 -40.08 95.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.621 -0.675 . . . . 0.0 110.581 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.459 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.5 m95 -87.14 -6.91 58.48 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 110.923 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.6 tp -70.01 -43.46 19.57 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 120.295 -1.503 . . . . 0.0 111.765 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 59.9 Cg_endo -71.46 -21.29 26.33 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 CA-C-N 120.749 1.303 . . . . 0.0 112.587 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.11 -42.03 33.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.306 -0.871 . . . . 0.0 109.431 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.9 t -67.85 -41.85 85.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -65.08 -40.43 94.64 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.224 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.05 95.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.077 -1.014 . . . . 0.0 109.91 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.68 88.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 57.6 t0 -59.88 -42.2 93.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.362 -0.836 . . . . 0.0 110.321 -178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 118.519 -1.272 . . . . 0.0 108.761 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.5 mtt -68.74 -41.75 78.54 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.715 -0.616 . . . . 0.0 110.495 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.71 -39.94 95.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 109.45 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -61.74 -39.73 92.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.907 -1.12 . . . . 0.0 109.913 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -72.76 0.33 11.14 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.522 -0.736 . . . . 0.0 109.323 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.97 33.91 56.62 Favored Glycine 0 N--CA 1.492 2.412 0 O-C-N 120.768 -1.207 . . . . 0.0 110.996 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.65 140.23 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.5 m -59.96 141.12 56.14 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.436 -0.905 . . . . 0.0 109.997 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.7 p -53.91 -46.04 71.32 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.642 -1.286 . . . . 0.0 109.593 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -57.97 -49.69 75.93 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.976 -1.077 . . . . 0.0 109.276 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 99.8 m -68.26 -41.18 81.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.059 -1.026 . . . . 0.0 109.616 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.91 75.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 110.431 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -69.96 -39.85 75.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.535 -1.353 . . . . 0.0 109.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.74 -46.1 90.16 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.841 -1.162 . . . . 0.0 108.823 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.6 m -60.98 -48.85 79.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.708 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -64.19 -48.85 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.11 -30.91 70.65 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.806 -0.559 . . . . 0.0 109.577 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.03 -51.03 25.5 Favored Glycine 0 N--CA 1.487 2.051 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -71.97 -40.27 68.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.255 -1.144 . . . . 0.0 109.789 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.8 m-85 -100.83 137.0 39.8 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -85.36 67.68 10.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.226 -0.921 . . . . 0.0 109.972 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.2 m -132.72 156.37 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 121.282 -0.886 . . . . 0.0 109.779 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.7 t -72.6 132.02 43.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.48 93.31 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.013 -1.054 . . . . 0.0 109.967 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.8 t -63.6 -40.05 95.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.108 -0.995 . . . . 0.0 110.345 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 82.2 m -63.7 -50.72 68.07 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.691 -1.255 . . . . 0.0 109.485 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.56 -40.47 91.72 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.297 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -60.02 -48.51 81.43 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.419 -0.801 . . . . 0.0 110.069 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -60.06 -43.66 95.24 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.041 -1.037 . . . . 0.0 109.995 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.33 -40.02 85.89 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.589 -0.695 . . . . 0.0 110.473 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.127 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -65.36 -38.68 90.81 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.562 -1.336 . . . . 0.0 109.964 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.45 -38.82 81.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.421 -0.799 . . . . 0.0 110.661 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.0 m -78.57 -12.57 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.976 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -59.07 -39.71 82.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.823 -1.173 . . . . 0.0 109.367 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -72.86 -2.28 20.07 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.138 -0.977 . . . . 0.0 109.195 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -119.05 141.6 48.58 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -67.78 153.37 43.87 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.838 -1.164 . . . . 0.0 109.099 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 81.9 mttt -50.1 -51.35 62.99 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.018 -1.051 . . . . 0.0 112.419 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 5.5 Cg_endo -48.61 -40.97 38.05 Favored 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 121.641 1.56 . . . . 0.0 114.215 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 159' ' ' ASP . 6.7 p-10 -89.76 4.6 49.18 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.739 -1.225 . . . . 0.0 110.834 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.479 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.9 m0 -58.45 -39.92 81.22 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.854 -1.153 . . . . 0.0 108.923 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -53.62 -42.78 68.1 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.114 -0.991 . . . . 0.0 109.329 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.58 64.03 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.213 -0.93 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.85 90.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.691 . . . . 0.0 110.212 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.23 -23.21 62.88 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.17 -0.956 . . . . 0.0 110.358 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 72.8 t -68.2 -40.95 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.85 -1.156 . . . . 0.0 109.206 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -89.95 130.59 36.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.496 -0.753 . . . . 0.0 109.642 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -178.35 20.89 0.04 OUTLIER Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -82.05 -9.53 59.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.327 -1.102 . . . . 0.0 109.898 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -59.74 141.76 47.45 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.69 121.48 25.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.39 -1.065 . . . . 0.0 109.733 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 59.5 m -104.03 12.17 34.43 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.451 -0.781 . . . . 0.0 109.734 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.417 ' HG2' ' H ' ' A' ' 172' ' ' ARG . 18.2 ptt180 -79.81 101.85 8.74 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.712 -1.242 . . . . 0.0 109.527 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -100.01 127.96 46.15 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.891 -1.131 . . . . 0.0 109.349 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.784 ' H ' HD22 ' A' ' 174' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 O-C-N 120.94 -1.1 . . . . 0.0 109.594 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.32 140.33 19.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.325 -0.859 . . . . 0.0 108.689 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.56 107.51 12.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 119.322 -0.951 . . . . 0.0 109.18 178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -69.98 149.82 96.34 Favored Pre-proline 0 N--CA 1.498 1.972 0 C-N-CA 117.646 -1.622 . . . . 0.0 107.237 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -61.43 148.74 92.2 Favored 'Trans proline' 0 N--CA 1.513 2.632 0 C-N-CA 122.148 1.899 . . . . 0.0 111.201 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.8 m -61.28 140.22 58.01 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.416 -1.428 . . . . 0.0 107.895 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD11 ' NE ' ' A' ' 89' ' ' ARG . 8.7 mp -92.7 89.18 6.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.881 -1.137 . . . . 0.0 108.978 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -175.01 -18.83 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.466 -0.894 . . . . 0.0 111.02 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.25 -43.49 6.27 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.126 -0.984 . . . . 0.0 111.874 -178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.35 141.16 37.09 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.088 -1.008 . . . . 0.0 110.106 -178.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -98.58 0.95 45.93 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -107.59 169.54 8.52 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.999 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -69.87 110.21 4.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.043 -1.036 . . . . 0.0 108.631 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.442 ' NE ' HD11 ' A' ' 82' ' ' LEU . 2.2 tmt_? -62.71 -39.7 94.86 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.403 -0.811 . . . . 0.0 110.168 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' O ' ' OG ' ' A' ' 94' ' ' SER . 97.3 mt-10 -59.82 -39.81 86.3 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.223 -0.923 . . . . 0.0 111.483 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.93 -39.87 72.29 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.315 -1.491 . . . . 0.0 110.955 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.1 tp -77.38 -57.68 3.69 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.999 -1.063 . . . . 0.0 110.94 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -69.82 -30.71 68.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.223 -0.923 . . . . 0.0 111.62 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 90' ' ' GLU . 61.0 m -60.23 -40.53 90.53 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.256 -1.527 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -61.13 -41.28 96.44 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.456 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.2 t-105 -60.52 -46.31 90.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.372 -0.83 . . . . 0.0 109.299 178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.548 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 59.0 t0 -56.72 -34.3 67.36 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.25 -0.906 . . . . 0.0 109.074 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.81 -0.58 51.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.859 -1.151 . . . . 0.0 109.574 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.66 152.56 44.56 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.445 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -72.83 158.95 34.56 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 108.625 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 102' ' ' SER . 39.3 p-10 -59.8 -40.21 87.57 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.723 -1.236 . . . . 0.0 109.876 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.541 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 71.6 m -60.46 -39.89 89.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.885 -1.134 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.66 -39.92 93.09 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.372 -0.83 . . . . 0.0 109.253 -179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 97.3 mtt180 -65.2 -40.86 94.75 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.835 -0.54 . . . . 0.0 110.082 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -62.09 -40.19 95.01 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 119.536 -0.866 . . . . 0.0 109.78 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.87 -49.07 79.15 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.724 -1.235 . . . . 0.0 108.877 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.39 98.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.306 -0.871 . . . . 0.0 109.514 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.65 -40.22 94.14 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.222 -0.924 . . . . 0.0 110.528 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.0 -40.47 96.42 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.078 -1.014 . . . . 0.0 110.486 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.484 ' O ' HG23 ' A' ' 114' ' ' VAL . 70.4 m95 -81.22 -9.73 59.73 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.265 -0.897 . . . . 0.0 111.471 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.493 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 17.9 tp -72.76 -45.57 9.15 Favored Pre-proline 0 N--CA 1.501 2.104 0 O-C-N 120.445 -1.409 . . . . 0.0 112.262 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 47.1 Cg_endo -67.21 -26.78 41.87 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 CA-C-N 120.858 1.342 . . . . 0.0 112.132 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.99 31.64 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.883 -1.136 . . . . 0.0 110.017 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 110' ' ' TRP . 38.6 t -70.03 -42.55 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.018 -1.052 . . . . 0.0 108.406 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.09 -41.03 91.19 Favored 'General case' 0 C--N 1.302 -1.48 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.298 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.58 91.51 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.13 88.41 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.89 -1.131 . . . . 0.0 109.365 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 58.9 t0 -59.09 -45.05 91.83 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.0 109.667 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.74 -40.14 88.22 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.153 -0.967 . . . . 0.0 109.102 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.29 -39.86 94.37 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.398 -0.814 . . . . 0.0 109.368 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.18 -39.98 78.39 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.674 0.749 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -60.63 -37.17 80.59 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.456 -0.778 . . . . 0.0 110.062 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.99 -0.43 2.35 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 76.73 26.82 62.01 Favored Glycine 0 N--CA 1.497 2.766 0 C-N-CA 120.514 -0.851 . . . . 0.0 111.817 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -80.66 139.85 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.961 -1.317 . . . . 0.0 108.957 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 69.5 m -55.64 141.16 38.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.213 -0.93 . . . . 0.0 110.125 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.4 p -56.81 -48.71 77.36 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.993 -1.067 . . . . 0.0 110.381 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.14 -41.2 92.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.898 -1.126 . . . . 0.0 108.959 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.9 m -69.64 -42.4 74.33 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.023 -1.048 . . . . 0.0 108.216 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.9 70.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.637 -0.664 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -69.93 -39.77 75.91 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.127 -0.983 . . . . 0.0 109.927 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.12 -45.95 92.59 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.381 -1.328 . . . . 0.0 108.992 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.4 m -60.11 -43.98 95.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.639 -0.663 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.35 -47.37 93.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.255 -0.903 . . . . 0.0 109.822 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.84 -26.98 68.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.92 -1.112 . . . . 0.0 109.276 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.7 -47.6 47.74 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 108.98 -1.648 . . . . 0.0 108.98 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -78.15 -41.33 35.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.125 -1.221 . . . . 0.0 108.921 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -96.68 131.62 43.17 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.54 -0.725 . . . . 0.0 110.067 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -85.07 62.28 7.4 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.161 -0.962 . . . . 0.0 110.16 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.2 m -130.3 160.22 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 71.2 m -72.11 134.61 45.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.463 -0.773 . . . . 0.0 109.112 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.54 -40.51 91.8 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.105 -0.997 . . . . 0.0 110.071 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.5 t -64.13 -40.14 95.53 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.453 -0.779 . . . . 0.0 110.943 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 88.0 m -61.55 -50.0 74.44 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.624 -1.298 . . . . 0.0 110.875 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.5 -40.84 92.85 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.85 -1.156 . . . . 0.0 109.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -60.05 -50.0 75.45 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.925 -0.484 . . . . 0.0 110.459 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.95 -40.31 95.09 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.825 -1.172 . . . . 0.0 109.898 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -68.37 -38.6 81.54 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.031 -1.043 . . . . 0.0 110.672 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -59.7 -46.6 88.6 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.176 -0.952 . . . . 0.0 110.471 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -67.73 -39.56 84.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.913 -1.117 . . . . 0.0 110.585 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -59.94 -39.92 87.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.479 -0.763 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.81 -4.85 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.084 -1.01 . . . . 0.0 109.985 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.88 -39.85 82.64 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 154' ' ' LYS . 2.9 mppt? -77.83 -4.83 48.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.634 -0.666 . . . . 0.0 110.561 -178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.454 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 86.1 m-85 -109.87 141.14 42.98 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.459 -0.775 . . . . 0.0 109.15 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.592 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -53.23 148.76 8.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.351 -0.843 . . . . 0.0 109.182 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 37.2 mttp -59.42 -42.63 93.44 Favored Pre-proline 0 C--N 1.304 -1.398 0 O-C-N 121.552 -0.717 . . . . 0.0 112.605 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 55.6 Cg_endo -68.32 -32.48 26.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 CA-C-N 120.777 1.313 . . . . 0.0 113.897 -178.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 5.8 p-10 -83.78 1.81 41.11 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 120.719 -1.238 . . . . 0.0 109.787 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 29.9 m0 -58.63 -39.21 79.88 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.207 -0.933 . . . . 0.0 109.121 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -39.4 71.59 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.499 -0.75 . . . . 0.0 109.594 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.21 -32.44 66.76 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.043 -1.036 . . . . 0.0 109.616 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.2 68.62 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 120.901 -1.124 . . . . 0.0 109.739 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.3 -37.22 77.7 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.086 -1.009 . . . . 0.0 111.299 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.501 HG23 ' H ' ' A' ' 166' ' ' ASP . 2.4 m -70.98 -100.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 119.956 -1.715 . . . . 0.0 110.534 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.501 ' H ' HG23 ' A' ' 165' ' ' VAL . 96.1 m-20 -83.97 124.94 31.56 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.604 -1.31 . . . . 0.0 110.158 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -99.82 148.35 18.52 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -85.19 139.91 31.3 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.293 -1.122 . . . . 0.0 108.858 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -157.23 -9.34 0.06 OUTLIER Glycine 0 N--CA 1.495 2.575 0 C-N-CA 119.903 -1.142 . . . . 0.0 110.485 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.36 135.81 36.81 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.287 -1.125 . . . . 0.0 110.016 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 74.1 m -99.71 110.34 22.75 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -108.88 5.84 24.84 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.858 -0.526 . . . . 0.0 109.909 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -90.99 -1.86 57.77 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.728 ' H ' HD22 ' A' ' 174' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.047 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 76' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.122 0.486 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.8 mt -63.97 142.48 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -144.82 122.91 12.12 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.958 -1.089 . . . . 0.0 110.239 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -59.92 -32.65 12.51 Favored Pre-proline 0 C--N 1.307 -1.281 0 C-N-CA 118.163 -1.415 . . . . 0.0 111.888 -179.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 32.7 Cg_exo -59.97 148.91 87.02 Favored 'Trans proline' 0 N--CA 1.503 2.06 0 C-N-CA 121.534 1.49 . . . . 0.0 110.939 175.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.6 m -60.07 140.27 56.95 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.881 -1.137 . . . . 0.0 109.773 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.2 mt -87.94 137.87 31.95 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.977 -1.077 . . . . 0.0 110.214 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -131.38 10.49 4.84 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.91 3.79 28.38 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.86 -1.15 . . . . 0.0 110.319 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' CE2' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -136.77 177.87 7.52 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.331 -0.856 . . . . 0.0 110.247 -178.527 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -119.46 10.85 11.98 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.466 ' CE2' ' CG ' ' A' ' 85' ' ' HIS . 53.0 p90 -98.77 156.86 16.64 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 120.466 -1.396 . . . . 0.0 109.763 179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -57.97 110.27 0.89 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.131 -0.98 . . . . 0.0 109.703 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -61.77 -42.05 98.49 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.278 -0.889 . . . . 0.0 110.497 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -66.27 -30.29 70.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.27 -0.894 . . . . 0.0 112.05 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.83 -52.65 63.28 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.68 -1.262 . . . . 0.0 111.564 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.9 tp -84.56 -45.88 12.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.65 -1.281 . . . . 0.0 111.337 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -67.24 -27.68 67.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.573 -1.329 . . . . 0.0 111.821 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.4 t -59.82 -39.95 86.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.313 -1.492 . . . . 0.0 108.473 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -60.23 -42.59 95.58 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 108.333 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.6 t-105 -62.47 -47.7 82.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.542 -0.724 . . . . 0.0 110.372 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.82 -36.85 70.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.086 -1.009 . . . . 0.0 109.698 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -81.54 -6.0 58.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.142 -0.974 . . . . 0.0 109.633 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.414 ' C ' HH12 ' A' ' 104' ' ' ARG . . . -67.15 152.14 46.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.002 -1.061 . . . . 0.0 108.898 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 83.4 p -75.04 162.39 28.61 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.958 -1.089 . . . . 0.0 109.128 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -59.73 -39.76 85.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.367 -0.833 . . . . 0.0 109.006 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 92.4 p -59.96 -39.93 87.34 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.327 -0.858 . . . . 0.0 110.205 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.14 -40.07 95.36 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.091 -1.006 . . . . 0.0 110.521 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.414 HH12 ' C ' ' A' ' 99' ' ' ALA . 46.0 mtm-85 -65.45 -40.0 92.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.739 -1.226 . . . . 0.0 109.628 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 105' ' ' ARG . 0.2 OUTLIER -59.99 -43.79 94.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.262 -0.899 . . . . 0.0 109.101 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.19 -48.67 80.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.431 -0.793 . . . . 0.0 109.508 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.51 86.7 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.936 -1.102 . . . . 0.0 108.892 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.89 -38.33 81.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.433 -0.792 . . . . 0.0 109.459 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.59 -39.99 94.73 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.25 -0.906 . . . . 0.0 111.044 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.52 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 m95 -82.7 -6.24 59.28 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.147 -0.971 . . . . 0.0 111.714 -177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.492 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 4.4 tp -77.16 -46.69 2.71 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 120.006 -1.684 . . . . 0.0 111.314 -179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 57.8 Cg_endo -67.12 -26.66 42.6 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.197 1.265 . . . . 0.0 112.497 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.12 -39.99 62.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.033 -1.042 . . . . 0.0 109.405 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 110' ' ' TRP . 48.3 t -69.16 -45.09 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.167 -0.958 . . . . 0.0 108.882 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -62.68 -40.21 96.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.927 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.23 84.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.061 -1.024 . . . . 0.0 108.618 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.44 91.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.431 -0.793 . . . . 0.0 110.195 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.9 -42.54 94.06 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.875 -1.14 . . . . 0.0 109.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.76 -40.32 92.04 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.358 -0.839 . . . . 0.0 108.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.49 -40.05 95.43 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.586 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.01 -40.0 95.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.234 -0.916 . . . . 0.0 109.407 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -60.07 -40.18 88.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.035 -1.041 . . . . 0.0 109.087 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -70.2 -6.91 37.82 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.93 30.31 68.13 Favored Glycine 0 N--CA 1.496 2.699 0 O-C-N 121.112 -0.992 . . . . 0.0 111.095 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -74.46 146.42 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.865 -1.374 . . . . 0.0 109.126 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.2 t -49.87 137.99 15.72 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.133 -0.979 . . . . 0.0 108.937 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.4 p -59.17 -45.58 90.66 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.412 -0.805 . . . . 0.0 109.757 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -56.29 -48.81 75.9 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.331 -0.855 . . . . 0.0 108.812 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 98.2 m -68.17 -41.12 81.97 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.329 -0.857 . . . . 0.0 110.514 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.16 -50.0 75.39 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.856 -1.152 . . . . 0.0 110.447 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.517 ' CE2' ' NH1' ' A' ' 146' ' ' ARG . 54.7 m-85 -67.61 -39.95 84.74 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.007 -1.058 . . . . 0.0 110.228 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.24 93.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.19 -0.944 . . . . 0.0 109.548 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.9 m -61.15 -40.54 94.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.072 -1.017 . . . . 0.0 109.47 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.94 -42.29 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.399 -0.813 . . . . 0.0 108.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.23 -36.68 84.86 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.4 -0.813 . . . . 0.0 109.254 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.37 -45.37 79.89 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 108.783 -1.727 . . . . 0.0 108.783 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -76.47 -44.52 35.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.409 -1.054 . . . . 0.0 109.75 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 135' ' ' ALA . 89.7 m-85 -97.2 139.17 33.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.243 -0.911 . . . . 0.0 109.571 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -82.93 61.02 5.73 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.409 -0.807 . . . . 0.0 108.902 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.04 159.53 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.547 -0.721 . . . . 0.0 109.624 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.9 p -78.81 132.16 36.77 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 108.578 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.09 94.16 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.428 -0.795 . . . . 0.0 109.747 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 57.9 m -61.59 -40.95 96.62 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.185 -0.947 . . . . 0.0 110.565 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.8 m -65.38 -45.74 82.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.964 -1.085 . . . . 0.0 109.563 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.468 HD11 HG22 ' A' ' 114' ' ' VAL . 59.6 tp -59.98 -38.64 83.12 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 109.411 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.517 ' NH1' ' CE2' ' A' ' 131' ' ' PHE . 26.5 ttm-85 -59.23 -50.03 75.58 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.03 -1.044 . . . . 0.0 110.026 -178.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.98 -40.72 96.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.977 -1.077 . . . . 0.0 109.311 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -67.1 -39.64 86.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.511 -0.743 . . . . 0.0 111.623 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -59.86 -46.32 89.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.75 -1.219 . . . . 0.0 110.17 -177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.43 -37.44 83.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.753 -1.217 . . . . 0.0 109.872 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.18 -39.95 88.28 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 111.117 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.83 -10.03 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.924 -1.11 . . . . 0.0 109.698 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.9 -38.66 79.39 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.273 -0.892 . . . . 0.0 109.085 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.42 -9.89 59.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.338 -0.851 . . . . 0.0 110.71 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -104.85 145.96 29.67 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.916 -1.115 . . . . 0.0 110.08 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.55 146.16 41.65 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.739 . . . . 0.0 110.472 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 90.3 mttt -49.53 -52.57 48.97 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 121.516 -0.74 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 29.7 Cg_endo -60.04 -26.16 81.67 Favored 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 121.413 1.409 . . . . 0.0 112.298 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.458 ' OD1' ' OH ' ' A' ' 87' ' ' TYR . 96.5 m-20 -87.02 -3.21 59.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.092 -1.005 . . . . 0.0 110.477 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -59.98 -39.98 87.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.055 -1.028 . . . . 0.0 109.647 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.06 91.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.888 -1.133 . . . . 0.0 108.695 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.409 ' O ' ' OD2' ' A' ' 166' ' ' ASP . . . -75.37 -30.64 60.24 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -65.68 -30.33 71.0 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.978 -1.076 . . . . 0.0 110.515 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 91.2 mt -69.83 -39.62 76.36 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.251 -0.906 . . . . 0.0 112.13 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.18 -41.64 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.581 -1.324 . . . . 0.0 110.128 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 162' ' ' ALA . 3.2 p30 -87.48 158.65 18.9 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.161 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -152.72 2.66 0.31 Allowed Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -84.03 132.21 34.75 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.357 -1.084 . . . . 0.0 108.638 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -63.78 135.46 41.11 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.51 -12.04 59.59 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.538 -0.978 . . . . 0.0 110.065 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 33.4 t -147.25 145.25 29.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.241 -0.912 . . . . 0.0 109.808 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -116.77 127.28 54.19 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -90.67 -74.79 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.416 -0.802 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 N--CA 1.496 1.844 0 O-C-N 120.903 -1.123 . . . . 0.0 109.721 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.6 ttm . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 77' ' ' ILE . 21.2 pt -60.39 140.07 18.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.75 -91.66 0.09 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.653 -1.28 . . . . 0.0 110.052 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 79' ' ' ARG . 0.1 OUTLIER -59.95 148.93 75.64 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.13 142.69 97.66 Favored 'Trans proline' 0 N--CA 1.503 2.059 0 CA-C-N 120.742 1.301 . . . . 0.0 113.09 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 94.5 m -157.25 100.71 1.85 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.032 -1.042 . . . . 0.0 108.234 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.2 tp -151.01 11.32 0.64 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.748 -1.22 . . . . 0.0 110.201 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -58.18 139.42 54.94 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 120.543 -1.348 . . . . 0.0 108.993 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.3 92.51 3.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.703 -1.248 . . . . 0.0 107.854 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -42.12 95.32 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.296 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.458 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 1.7 t70 -148.2 -14.35 0.35 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.884 -1.135 . . . . 0.0 108.258 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 16.5 p90 -151.05 159.98 44.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.307 -0.871 . . . . 0.0 108.811 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 22.9 p-10 -99.24 115.73 29.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.976 -1.078 . . . . 0.0 109.438 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.63 ' NH1' ' HE1' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -107.87 27.15 9.51 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.226 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -41.02 91.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 108.615 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.57 93.53 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp -59.54 -49.57 77.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.162 -0.961 . . . . 0.0 109.453 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.63 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 70.6 m95 -67.8 -29.42 68.6 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -58.94 -39.07 80.5 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.612 -1.305 . . . . 0.0 108.014 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -61.58 -40.13 93.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.295 -0.878 . . . . 0.0 109.051 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 5.0 t-105 -60.45 -48.29 82.39 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 64.8 t0 -57.49 -35.82 70.69 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.251 -0.906 . . . . 0.0 109.044 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -83.72 -6.76 59.51 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.138 -0.976 . . . . 0.0 108.958 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.45 147.69 52.53 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.036 -1.04 . . . . 0.0 109.368 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.1 t -74.06 162.38 29.07 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.554 -0.716 . . . . 0.0 109.443 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -59.26 -41.13 88.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.93 -1.106 . . . . 0.0 109.684 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -40.25 88.59 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.229 -0.919 . . . . 0.0 109.402 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.13 -40.74 94.86 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.161 -0.962 . . . . 0.0 109.054 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -68.54 -39.95 80.91 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.036 . . . . 0.0 109.747 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -65.99 -39.95 90.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.237 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.91 -48.46 81.59 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.31 88.49 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.399 -0.813 . . . . 0.0 109.197 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -61.68 -40.29 94.47 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.369 -0.832 . . . . 0.0 109.896 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -64.63 -39.63 94.04 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.684 -0.635 . . . . 0.0 111.079 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.541 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 61.5 m95 -80.95 -10.24 59.74 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.256 -0.903 . . . . 0.0 110.799 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.8 tp -71.3 -47.04 13.86 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 120.519 -1.363 . . . . 0.0 111.869 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 37.8 Cg_endo -63.23 -29.6 73.53 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 CA-C-N 120.718 1.292 . . . . 0.0 112.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.56 -43.76 30.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.696 -1.252 . . . . 0.0 109.801 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 110' ' ' TRP . 41.3 t -70.1 -40.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 120.874 -1.141 . . . . 0.0 109.048 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -67.24 -40.17 86.27 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.211 -0.931 . . . . 0.0 109.627 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.25 95.62 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.15 -0.969 . . . . 0.0 109.608 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.01 89.03 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -59.22 -44.61 92.3 Favored 'General case' 0 C--N 1.302 -1.484 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.136 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.459 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 88.1 tt0 -61.01 -40.19 92.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.463 -0.773 . . . . 0.0 109.379 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.38 -40.03 92.98 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.085 -1.009 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.86 -40.29 97.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.281 -0.887 . . . . 0.0 111.151 -177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 43.7 p30 -68.51 -17.45 64.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.845 -1.159 . . . . 0.0 110.167 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 41.3 tp60 -81.62 -1.02 45.06 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.25 21.39 78.51 Favored Glycine 0 N--CA 1.496 2.64 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.168 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.1 mt -76.89 149.36 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 120.923 -1.339 . . . . 0.0 109.102 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 55.6 m -59.9 141.04 56.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.181 -0.949 . . . . 0.0 109.494 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 p -58.54 -42.57 88.13 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-O 121.243 0.544 . . . . 0.0 110.122 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.11 -45.94 91.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.943 -1.098 . . . . 0.0 109.861 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.6 m -69.18 -39.97 78.37 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.967 -1.083 . . . . 0.0 108.903 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.96 71.11 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.324 -0.86 . . . . 0.0 110.393 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.75 -39.21 76.87 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.83 93.35 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.274 -0.891 . . . . 0.0 108.776 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.2 m -60.85 -42.03 97.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.249 -0.907 . . . . 0.0 109.951 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.88 -42.97 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.969 -1.082 . . . . 0.0 109.291 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.86 -31.06 71.79 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.284 -0.885 . . . . 0.0 109.171 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.55 -44.65 63.11 Favored Glycine 0 N--CA 1.485 1.907 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -79.21 -42.7 25.41 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.145 -1.209 . . . . 0.0 109.276 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.42 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.1 m-85 -99.84 136.65 39.44 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -86.54 69.12 10.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.285 -0.884 . . . . 0.0 109.623 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.7 m -129.86 157.25 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.709 -0.619 . . . . 0.0 109.652 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.6 t -74.12 130.34 39.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.501 -0.749 . . . . 0.0 110.432 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.17 87.02 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.02 -1.05 . . . . 0.0 109.331 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.6 m -63.53 -40.78 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.835 -1.165 . . . . 0.0 110.22 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 95.8 m -64.31 -51.96 60.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.109 -0.995 . . . . 0.0 110.589 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.77 -40.77 93.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 110.133 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -60.13 -50.89 71.89 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.999 -1.063 . . . . 0.0 110.621 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.41 -41.54 97.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.098 -1.001 . . . . 0.0 109.594 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.541 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 51.6 mtpt -63.56 -38.51 91.41 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.664 -0.648 . . . . 0.0 110.588 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -60.06 -42.6 94.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.132 -0.98 . . . . 0.0 109.596 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -69.54 -38.42 77.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.905 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.18 -39.0 84.96 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 111.517 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -77.8 -8.22 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.66 -1.275 . . . . 0.0 111.512 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.95 -37.23 78.93 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.107 -0.996 . . . . 0.0 110.292 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -76.85 -10.3 59.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.277 -0.89 . . . . 0.0 109.978 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.88 143.5 33.07 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.391 -0.818 . . . . 0.0 109.061 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -59.47 146.64 39.55 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.422 -0.799 . . . . 0.0 109.984 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 66.6 mttt -49.79 -49.77 71.54 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.481 -0.762 . . . . 0.0 111.439 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 50.6 Cg_endo -68.12 -20.01 44.35 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 CA-C-N 120.463 1.201 . . . . 0.0 111.797 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 159' ' ' ASP . 54.1 t0 -83.39 -9.4 59.06 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.528 -0.732 . . . . 0.0 109.357 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 35.9 m0 -57.6 -39.98 78.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.125 -0.985 . . . . 0.0 110.021 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.35 79.05 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.733 -1.23 . . . . 0.0 109.784 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -32.51 62.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.285 -0.884 . . . . 0.0 109.872 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.61 -31.11 71.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.167 -0.958 . . . . 0.0 110.096 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 59.2 mt -74.48 -8.93 57.94 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.173 -0.955 . . . . 0.0 110.092 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 89.1 t -70.77 -26.01 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.349 -0.844 . . . . 0.0 109.529 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.53 117.26 21.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.039 -1.038 . . . . 0.0 109.594 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -90.87 -154.64 30.65 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -82.1 126.38 31.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.411 -1.052 . . . . 0.0 109.236 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -84.18 138.93 17.84 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -82.89 112.13 19.41 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.955 -1.321 . . . . 0.0 109.541 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 86.3 p -159.9 161.26 34.28 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -112.66 130.08 56.17 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -94.8 132.43 39.59 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.318 -0.864 . . . . 0.0 108.889 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 39.0 p-10 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.658 179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.637 ' N ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.09 -30.36 45.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 110.28 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.56 99.46 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.081 -1.637 . . . . 0.0 109.582 -176.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.637 ' NH1' ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.03 149.96 72.02 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 177.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -70.36 149.99 63.92 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 CA-C-N 120.195 1.105 . . . . 0.0 112.54 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.919 HG21 ' HE1' ' A' ' 93' ' ' TRP . 7.0 m -79.6 -9.85 59.7 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.12 -0.988 . . . . 0.0 110.381 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.2 130.1 39.5 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 122.464 1.126 . . . . 0.0 110.857 -176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.631 ' H ' ' CE1' ' A' ' 85' ' ' HIS . 12.1 tp10 -172.56 -126.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.21 116.73 29.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.242 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.656 ' CE1' ' NE ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -172.3 125.23 0.51 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.123 -0.986 . . . . 0.0 109.015 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 45.4 t0 -76.97 -14.74 59.81 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 17.6 p90 -96.94 140.3 31.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.392 -0.817 . . . . 0.0 109.45 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -69.24 127.59 33.6 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.968 -1.083 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.656 ' NE ' ' CE1' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -86.23 -22.24 27.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.423 -0.798 . . . . 0.0 110.309 -179.328 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 48.7 mp0 -60.0 -44.16 94.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.387 -0.821 . . . . 0.0 109.572 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.77 84.36 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.959 -1.088 . . . . 0.0 109.136 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.08 -49.9 75.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.097 -1.002 . . . . 0.0 109.353 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.919 ' HE1' HG21 ' A' ' 81' ' ' THR . 79.2 m95 -68.33 -30.13 69.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.316 -0.865 . . . . 0.0 110.774 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -39.32 85.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.883 -1.136 . . . . 0.0 109.064 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.88 -40.0 94.42 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.569 -1.332 . . . . 0.0 108.618 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.493 ' CZ2' ' NE ' ' A' ' 104' ' ' ARG . 4.4 t-105 -60.85 -46.2 91.51 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.391 -0.818 . . . . 0.0 110.114 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -59.94 -40.27 88.36 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.27 -0.894 . . . . 0.0 110.226 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.16 -1.4 58.07 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.508 -0.745 . . . . 0.0 109.831 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 160.84 31.56 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.252 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.3 t -71.9 154.06 41.47 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.122 -0.986 . . . . 0.0 109.776 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -60.01 -39.93 87.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.523 -0.736 . . . . 0.0 109.285 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.1 p -59.89 -40.14 87.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.325 -0.859 . . . . 0.0 109.932 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -60.8 -40.52 92.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.944 -1.097 . . . . 0.0 109.876 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.493 ' NE ' ' CZ2' ' A' ' 96' ' ' TRP . 61.2 mtp180 -63.1 -38.23 90.36 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.88 -1.138 . . . . 0.0 109.317 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -60.69 -41.83 95.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.121 -0.987 . . . . 0.0 109.77 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.0 tp -60.18 -46.98 87.85 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.013 -1.054 . . . . 0.0 109.266 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.01 94.74 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.719 -1.238 . . . . 0.0 109.163 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.62 -39.97 93.16 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.311 -0.868 . . . . 0.0 109.41 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.94 -40.95 97.62 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.19 -0.944 . . . . 0.0 111.988 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -85.47 -7.64 58.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.902 -1.124 . . . . 0.0 111.537 -178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.6 tp -73.63 -45.63 7.27 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 120.616 -1.302 . . . . 0.0 112.171 -179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 23.8 Cg_endo -61.34 -27.34 82.87 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 CA-C-N 121.274 1.491 . . . . 0.0 110.526 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.63 -46.15 19.9 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.633 -0.667 . . . . 0.0 109.783 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 115' ' ' GLN . 0.8 OUTLIER -68.3 -42.84 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 120.982 -1.074 . . . . 0.0 110.147 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.442 ' N ' ' CG1' ' A' ' 114' ' ' VAL . 12.7 tt0 -63.03 -40.19 96.99 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.291 -0.881 . . . . 0.0 108.687 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.61 82.34 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.95 93.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.398 -0.814 . . . . 0.0 109.323 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.4 -43.92 92.89 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.219 -0.926 . . . . 0.0 109.205 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.71 -40.4 92.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.266 -0.896 . . . . 0.0 109.733 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.83 -40.08 91.44 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.943 -1.098 . . . . 0.0 108.983 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.65 -39.11 91.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.274 -0.891 . . . . 0.0 109.198 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.6 -40.0 90.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.953 . . . . 0.0 109.829 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -72.35 -1.88 17.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.216 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.43 36.8 69.47 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 120.973 -1.079 . . . . 0.0 111.587 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.7 mt -82.32 148.67 5.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 O-C-N 120.989 -1.301 . . . . 0.0 109.01 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.7 m -56.86 139.68 50.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.222 -0.924 . . . . 0.0 108.814 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.6 p -56.61 -44.43 81.15 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.239 -0.913 . . . . 0.0 110.575 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.48 -43.99 93.16 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.132 -1.027 . . . . 0.0 108.93 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.0 m -70.52 -42.13 71.68 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.034 -1.041 . . . . 0.0 109.923 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.74 -50.82 70.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.26 -0.9 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.15 -39.49 89.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.125 -0.984 . . . . 0.0 108.828 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.92 83.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.918 -1.113 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.2 m -61.52 -44.85 96.31 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.188 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.82 -40.1 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 120.908 -1.12 . . . . 0.0 109.23 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.14 -27.41 66.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.227 -0.921 . . . . 0.0 108.81 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.27 -47.05 13.65 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.25 -40.76 77.66 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.939 -1.33 . . . . 0.0 109.408 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 135' ' ' ALA . 97.7 m-85 -105.52 136.95 44.17 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.885 -0.51 . . . . 0.0 109.777 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -78.96 66.91 4.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.288 -0.883 . . . . 0.0 108.676 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.16 158.54 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.8 m -76.34 129.32 36.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.089 -1.007 . . . . 0.0 108.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.15 87.77 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.92 -1.112 . . . . 0.0 109.311 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 43.3 m -64.12 -40.08 95.42 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.398 -0.814 . . . . 0.0 110.478 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 97.3 m -64.7 -49.92 68.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.149 -0.969 . . . . 0.0 109.719 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 64.3 tp -60.08 -41.7 93.02 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.518 -0.739 . . . . 0.0 109.638 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.6 -50.37 74.16 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.514 -0.741 . . . . 0.0 110.174 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.35 -41.1 96.51 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.083 -1.01 . . . . 0.0 109.847 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.26 -35.3 75.93 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.165 -0.959 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -59.7 -39.97 86.38 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.133 -0.979 . . . . 0.0 109.871 -177.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -68.85 -37.63 79.25 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 109.668 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.97 -39.38 85.48 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.681 -0.637 . . . . 0.0 110.879 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.421 ' O ' ' NE1' ' A' ' 160' ' ' TRP . 20.8 m -77.67 -10.79 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.721 -1.237 . . . . 0.0 110.786 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.08 -37.29 79.47 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.845 -1.159 . . . . 0.0 109.458 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.16 -11.02 59.85 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.251 -0.906 . . . . 0.0 109.132 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -104.73 140.5 37.97 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.195 -0.941 . . . . 0.0 109.577 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -57.31 145.0 33.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.046 -1.034 . . . . 0.0 110.463 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 7.9 mtmp? -47.26 -50.83 45.95 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.829 -0.545 . . . . 0.0 110.964 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 48.8 Cg_endo -65.8 -27.73 51.63 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 CA-C-N 120.536 1.227 . . . . 0.0 111.151 178.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.592 ' OD1' HG21 ' A' ' 81' ' ' THR . 82.4 m-20 -80.52 -6.09 57.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.275 -0.891 . . . . 0.0 110.151 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.421 ' NE1' ' O ' ' A' ' 152' ' ' VAL . 31.0 m0 -59.9 -40.24 88.11 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.002 -1.062 . . . . 0.0 109.914 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.98 87.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.028 -1.045 . . . . 0.0 108.882 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -71.97 -37.05 69.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.3 71.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.261 -0.899 . . . . 0.0 111.728 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 58.7 mt -73.93 0.12 14.42 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.101 -1.0 . . . . 0.0 111.094 -177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 162' ' ' ALA . 25.2 m -70.82 -17.13 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.629 -1.295 . . . . 0.0 109.131 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -83.67 113.65 21.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 109.68 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -119.0 167.66 13.2 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.77 139.05 36.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.176 -1.191 . . . . 0.0 109.277 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -155.66 -90.39 0.08 OUTLIER Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -77.21 136.9 38.58 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.415 -1.05 . . . . 0.0 108.944 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 44.8 m -126.99 140.11 52.55 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 172' ' ' ARG . 43.3 mtt-85 -79.6 147.81 31.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.569 -0.707 . . . . 0.0 109.352 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.412 ' HG3' ' NH1' ' A' ' 173' ' ' ARG . 7.2 ptm180 -90.45 -5.58 55.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.23 -0.919 . . . . 0.0 109.941 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.498 1.934 0 O-C-N 121.067 -1.021 . . . . 0.0 109.297 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 mmt . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 78' ' ' ALA . 3.7 mt 55.73 -139.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.582 ' H ' HG22 ' A' ' 77' ' ' ILE . . . -161.58 35.47 0.13 Allowed 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.826 -1.171 . . . . 0.0 107.933 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -69.69 149.74 96.76 Favored Pre-proline 0 C--N 1.294 -1.827 0 C-N-CA 118.144 -1.422 . . . . 0.0 108.531 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -69.59 150.02 68.68 Favored 'Trans proline' 0 N--CA 1.509 2.429 0 C-N-CA 122.862 2.374 . . . . 0.0 110.746 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.6 m -59.49 141.55 54.52 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 120.127 -1.608 . . . . 0.0 110.5 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.639 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -141.95 159.98 41.13 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.78 0.8 . . . . 0.0 109.394 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 18.3 pt-20 -136.55 133.27 36.26 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.414 ' N ' ' NH1' ' A' ' 89' ' ' ARG . . . -45.15 94.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.855 -1.153 . . . . 0.0 109.816 -179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -77.19 -64.2 1.19 Allowed 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.116 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -127.82 0.12 6.03 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.579 0.704 . . . . 0.0 109.346 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 15.6 p90 -156.99 163.26 39.3 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -99.9 117.8 34.96 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.984 -1.072 . . . . 0.0 109.638 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.841 ' H ' ' NE ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -72.15 -18.1 61.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 110.531 -179.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -56.86 -39.93 75.19 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 120.601 -1.312 . . . . 0.0 109.22 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.65 94.66 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 118.379 -1.329 . . . . 0.0 108.92 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.9 tp -69.49 -46.47 66.52 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.292 -0.88 . . . . 0.0 110.12 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -67.57 -30.65 70.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.0 t -59.99 -39.9 87.3 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.851 -1.156 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.03 -39.86 96.02 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.842 -1.161 . . . . 0.0 108.438 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.535 ' NE1' HD11 ' A' ' 77' ' ' ILE . 3.3 t-105 -60.52 -44.66 95.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.657 -0.652 . . . . 0.0 109.368 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 58.4 t0 -54.11 -35.75 62.48 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.498 -0.751 . . . . 0.0 109.137 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -85.74 -9.15 57.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 109.794 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.65 142.01 58.2 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 120.837 -1.164 . . . . 0.0 108.65 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.5 p -71.5 162.27 29.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.913 . . . . 0.0 109.993 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 102' ' ' SER . 37.3 p-10 -59.92 -39.85 86.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.483 -0.76 . . . . 0.0 109.858 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.57 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 80.2 p -59.94 -40.02 87.5 Favored 'General case' 0 N--CA 1.485 1.28 0 O-C-N 120.873 -1.142 . . . . 0.0 108.805 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -65.4 -39.91 92.79 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.357 -0.839 . . . . 0.0 108.742 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 98.2 mtt180 -66.15 -39.96 90.21 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.688 -0.633 . . . . 0.0 110.556 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -60.75 -42.38 97.3 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.518 -0.739 . . . . 0.0 109.931 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.24 -50.75 72.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.684 -0.635 . . . . 0.0 110.033 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.16 89.75 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.207 -0.933 . . . . 0.0 109.897 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.31 -39.67 87.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.408 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -64.95 -40.08 94.48 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.227 -0.92 . . . . 0.0 110.804 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.518 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.2 m95 -80.57 -10.3 59.74 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.501 -0.749 . . . . 0.0 111.367 -178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 36.6 tp -73.33 -48.13 7.38 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.462 -1.398 . . . . 0.0 111.461 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 58.2 Cg_endo -68.89 -24.62 33.64 Favored 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 120.998 1.392 . . . . 0.0 112.75 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.44 39.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.912 -1.117 . . . . 0.0 110.157 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.3 t -70.49 -42.8 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -64.26 -42.61 96.4 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.0 97.46 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 119.433 -0.907 . . . . 0.0 109.913 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.52 94.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.138 -0.976 . . . . 0.0 108.884 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.0 -42.05 84.36 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.463 -0.773 . . . . 0.0 110.045 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.48 -40.02 94.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.958 -1.089 . . . . 0.0 109.378 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 75.6 mtp -61.69 -39.98 93.38 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.943 -1.098 . . . . 0.0 110.05 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.25 -37.37 87.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.215 -0.928 . . . . 0.0 109.194 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -38.44 82.72 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 109.848 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -73.99 -5.62 42.42 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.986 -1.071 . . . . 0.0 108.484 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.27 35.96 56.22 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.455 -0.778 . . . . 0.0 111.207 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.1 140.55 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.273 -1.134 . . . . 0.0 109.226 178.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -47.96 131.99 15.3 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.055 -1.028 . . . . 0.0 109.78 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 p -57.65 -41.61 81.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.482 -0.761 . . . . 0.0 110.748 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.78 -48.26 82.39 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 120.651 -1.28 . . . . 0.0 108.556 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.4 m -67.86 -40.53 83.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.923 -1.111 . . . . 0.0 108.921 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.59 73.1 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.387 -0.821 . . . . 0.0 110.728 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -67.78 -40.11 84.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.758 -1.214 . . . . 0.0 109.512 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.6 93.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.979 -1.076 . . . . 0.0 110.117 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -61.35 -42.05 98.06 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.838 -1.164 . . . . 0.0 110.063 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 80.1 t -66.48 -46.67 85.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.794 -0.566 . . . . 0.0 109.891 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.16 -38.55 86.86 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.756 -1.215 . . . . 0.0 110.477 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.26 -44.73 90.19 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -75.4 -44.96 41.88 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.172 -1.193 . . . . 0.0 110.071 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' O ' ' O ' ' A' ' 135' ' ' ALA . 83.7 m-85 -95.77 137.69 34.48 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.235 -0.916 . . . . 0.0 108.757 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -84.05 60.1 5.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.329 -0.857 . . . . 0.0 109.663 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.68 157.45 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-O 121.638 0.733 . . . . 0.0 109.605 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.9 m -73.09 134.94 44.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.566 -0.709 . . . . 0.0 109.738 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.36 85.22 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.983 -1.073 . . . . 0.0 108.54 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.3 t -63.52 -40.68 97.67 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.503 -0.748 . . . . 0.0 110.619 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 99.4 m -61.95 -50.01 73.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.347 -0.846 . . . . 0.0 110.052 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.59 -40.51 92.03 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.122 -0.986 . . . . 0.0 109.91 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -60.19 -51.95 67.41 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.164 -0.96 . . . . 0.0 110.443 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.6 -43.97 96.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.09 -1.006 . . . . 0.0 110.523 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -68.32 -37.13 80.27 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.829 -1.169 . . . . 0.0 111.105 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.65 -49.67 75.7 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 120.916 -1.115 . . . . 0.0 109.847 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -64.26 -38.65 91.82 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.082 -1.011 . . . . 0.0 108.607 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.86 -41.83 92.34 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.815 -0.553 . . . . 0.0 110.207 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -81.58 -16.62 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.572 -1.33 . . . . 0.0 109.66 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.64 -36.48 76.45 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.333 -0.855 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -75.89 -11.92 60.06 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.434 -0.791 . . . . 0.0 109.824 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -109.26 145.51 35.79 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.248 -0.908 . . . . 0.0 109.453 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -57.44 147.08 27.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.428 -0.795 . . . . 0.0 109.565 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 3.4 mttm -60.96 -43.12 90.19 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 111.06 -178.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 86.4 Cg_exo -49.47 -38.85 44.76 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.994 1.796 . . . . 0.0 113.143 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -89.59 2.56 54.51 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 111.738 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -57.47 -42.17 82.07 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.937 -1.102 . . . . 0.0 109.332 -179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.46 88.75 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.931 -1.106 . . . . 0.0 109.058 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.39 49.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.186 -0.946 . . . . 0.0 110.46 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -70.14 -30.83 68.1 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 120.716 -1.24 . . . . 0.0 110.134 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.05 -30.06 67.23 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.067 -1.021 . . . . 0.0 112.94 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 166' ' ' ASP . 1.3 m -68.84 -98.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.11 -1.619 . . . . 0.0 109.851 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.515 ' H ' HG23 ' A' ' 165' ' ' VAL . 41.4 t0 -87.23 119.79 27.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.617 -1.302 . . . . 0.0 110.138 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 177.83 54.11 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -85.37 130.1 34.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.115 -1.226 . . . . 0.0 109.27 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -126.39 145.52 15.77 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 108.399 -1.881 . . . . 0.0 108.399 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.34 129.4 34.43 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.367 -1.078 . . . . 0.0 109.472 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 46.7 t -100.46 166.41 10.95 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -81.22 104.92 12.01 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.978 -1.076 . . . . 0.0 109.231 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -97.22 -0.04 47.44 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.302 -0.874 . . . . 0.0 109.53 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 N--CA 1.498 1.968 0 O-C-N 120.904 -1.122 . . . . 0.0 109.62 -179.811 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.739 0.78 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.8 mt -60.38 140.54 18.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 O-C-N 120.886 -1.133 . . . . 0.0 110.255 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -127.86 82.56 2.09 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 149.97 96.16 Favored Pre-proline 0 C--N 1.293 -1.85 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -176.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -69.48 149.98 69.36 Favored 'Trans proline' 0 N--CA 1.5 1.862 0 C-N-CA 122.893 2.395 . . . . 0.0 110.755 -178.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.5 m -60.49 144.97 50.08 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -178.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.12 114.89 22.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.664 -1.273 . . . . 0.0 109.565 -177.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.96 -92.61 0.15 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.44 141.3 54.07 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -149.4 86.62 1.48 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.908 -1.12 . . . . 0.0 111.467 -179.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -62.75 -35.95 81.48 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 176.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.539 ' O ' ' CG ' ' A' ' 87' ' ' TYR . 11.7 p90 -119.93 113.71 20.97 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -83.41 111.37 18.96 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.573 -1.33 . . . . 0.0 109.158 -179.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.73 43.94 1.85 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.466 -0.771 . . . . 0.0 109.463 -179.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -60.48 -40.51 91.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.932 -1.105 . . . . 0.0 109.556 178.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.02 88.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.051 -1.031 . . . . 0.0 108.608 178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -52.23 -57.3 10.12 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.229 -0.919 . . . . 0.0 109.606 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -69.89 -34.93 74.2 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.533 -0.729 . . . . 0.0 110.302 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -60.49 -41.91 95.23 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.927 -1.108 . . . . 0.0 108.481 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.18 -40.02 88.49 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.472 -0.767 . . . . 0.0 108.939 178.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.5 t-105 -61.14 -48.24 82.52 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 120.97 -1.082 . . . . 0.0 109.454 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 60.7 t0 -58.23 -36.13 72.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.218 -0.927 . . . . 0.0 109.193 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -83.74 -3.36 57.74 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.077 -1.014 . . . . 0.0 110.187 -179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.52 154.22 42.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.142 -0.974 . . . . 0.0 110.02 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 93.1 p -70.82 160.06 33.44 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 102' ' ' SER . 40.3 p-10 -60.97 -39.83 91.08 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.121 -0.987 . . . . 0.0 110.69 -179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.512 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 23.1 t -60.01 -39.8 87.05 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.961 -1.087 . . . . 0.0 110.269 -178.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -39.94 95.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.439 -0.788 . . . . 0.0 109.0 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 97' ' ' ASP . 91.8 mtt180 -65.6 -40.19 92.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.291 -179.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -67.86 -40.07 83.67 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.899 -1.126 . . . . 0.0 110.213 -179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.44 -40.57 94.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.12 -0.988 . . . . 0.0 108.574 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.01 88.74 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.293 -0.88 . . . . 0.0 109.685 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.83 -40.05 91.33 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.457 -0.777 . . . . 0.0 111.163 -179.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -67.95 -39.91 83.35 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.536 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.524 ' O ' HG23 ' A' ' 114' ' ' VAL . 65.4 m95 -81.02 -9.48 59.83 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.036 -1.04 . . . . 0.0 111.677 -177.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 6.3 tp -75.4 -48.21 4.15 Favored Pre-proline 0 N--CA 1.5 2.03 0 O-C-N 120.333 -1.479 . . . . 0.0 111.819 -178.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.5 Cg_endo -66.84 -27.84 43.47 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 CA-C-N 121.108 1.431 . . . . 0.0 112.392 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.05 -42.15 57.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.766 -1.209 . . . . 0.0 110.167 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -68.48 -42.5 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.074 -1.016 . . . . 0.0 109.051 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.41 -40.1 92.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.043 -1.036 . . . . 0.0 108.859 -179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.71 94.72 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.225 -0.922 . . . . 0.0 109.832 179.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.46 85.64 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.492 -0.755 . . . . 0.0 108.972 -179.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 122' ' ' ASN . 6.9 t70 -57.56 -47.36 82.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.328 -0.857 . . . . 0.0 109.646 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.66 -40.3 96.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.047 -1.033 . . . . 0.0 110.22 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.41 -40.11 81.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.983 -1.073 . . . . 0.0 109.655 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.5 -36.41 81.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.928 -1.107 . . . . 0.0 109.704 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.516 ' ND2' ' OD1' ' A' ' 118' ' ' ASP . 94.7 m-20 -60.04 -39.87 87.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.053 -1.029 . . . . 0.0 109.81 -179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -65.8 -5.21 8.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.087 -1.008 . . . . 0.0 109.083 -179.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.38 30.82 66.48 Favored Glycine 0 N--CA 1.491 2.342 0 O-C-N 121.111 -0.993 . . . . 0.0 111.009 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.26 149.26 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 120.895 -1.356 . . . . 0.0 108.841 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.5 t -49.51 133.21 20.74 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.245 -0.909 . . . . 0.0 109.92 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -57.81 -42.86 85.15 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-O 121.693 0.759 . . . . 0.0 109.405 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -59.32 -47.27 86.03 Favored 'General case' 0 C--N 1.295 -1.777 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.033 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.0 m -66.87 -40.91 87.98 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.801 -1.187 . . . . 0.0 109.31 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.75 -54.22 47.86 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -67.12 -39.97 86.75 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.153 -0.967 . . . . 0.0 109.6 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.22 86.6 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.697 -1.252 . . . . 0.0 109.377 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 90.3 m -65.12 -42.16 94.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.76 -42.19 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.105 -0.997 . . . . 0.0 109.479 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -68.64 -30.26 68.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.85 -1.156 . . . . 0.0 109.065 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.07 -46.87 57.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -73.42 -43.75 59.76 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.012 -1.287 . . . . 0.0 108.958 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' ' O ' ' A' ' 135' ' ' ALA . 96.4 m-85 -97.56 130.7 44.59 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.554 -0.716 . . . . 0.0 109.588 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -80.05 61.71 4.0 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.721 -1.237 . . . . 0.0 109.53 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.8 m -123.66 153.01 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 CA-C-O 121.93 0.871 . . . . 0.0 110.026 -179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 38.5 t -71.8 130.47 41.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.955 . . . . 0.0 109.998 -179.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.11 88.99 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.373 -0.83 . . . . 0.0 109.723 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.5 t -65.8 -40.75 92.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.21 -0.932 . . . . 0.0 110.079 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 93.3 m -65.53 -50.29 65.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 110.156 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.2 tp -60.02 -42.53 94.55 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.571 -0.706 . . . . 0.0 109.999 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.424 ' HG2' HH11 ' A' ' 146' ' ' ARG . 30.1 ttt-85 -60.13 -49.28 78.24 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.863 -1.148 . . . . 0.0 109.748 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -61.33 -40.68 95.14 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.033 -1.042 . . . . 0.0 110.102 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -66.06 -39.12 89.84 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.408 -0.807 . . . . 0.0 110.589 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -59.99 -45.85 91.37 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -177.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -68.67 -40.05 80.34 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.163 -1.585 . . . . 0.0 109.351 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.26 -40.18 89.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.552 -0.718 . . . . 0.0 111.162 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.49 -11.32 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 120.475 -1.391 . . . . 0.0 109.93 -179.253 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -60.0 -39.66 86.56 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.353 -0.842 . . . . 0.0 110.168 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.68 -9.01 58.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.791 -1.193 . . . . 0.0 109.508 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -106.34 146.34 30.55 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.41 -0.806 . . . . 0.0 109.933 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.97 50.28 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 53.7 mttm -50.05 -52.48 52.56 Favored Pre-proline 0 N--CA 1.487 1.423 0 C-N-CA 119.181 -1.007 . . . . 0.0 111.106 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 25.7 Cg_endo -61.84 -21.66 72.69 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 120.94 1.093 . . . . 0.0 111.915 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -81.97 -10.1 59.36 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.375 -0.828 . . . . 0.0 109.718 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -59.03 -39.95 83.5 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.675 . . . . 0.0 109.981 -178.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.004 -1.06 . . . . 0.0 110.652 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 165' ' ' VAL . . . -68.55 -39.63 80.99 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.128 -0.982 . . . . 0.0 109.945 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.42 80.85 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 110.693 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 94.5 mt -68.13 -38.7 82.48 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.064 -1.022 . . . . 0.0 112.06 -177.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 162' ' ' ALA . 14.1 m -67.86 -18.61 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.461 -1.4 . . . . 0.0 110.611 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -88.48 106.86 18.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.966 -1.084 . . . . 0.0 109.401 179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -97.58 168.58 24.03 Favored Glycine 0 N--CA 1.502 3.074 0 N-CA-C 109.877 -1.289 . . . . 0.0 109.877 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -81.14 -70.7 0.51 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.04 -1.271 . . . . 0.0 109.866 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -178.55 -57.11 0.07 OUTLIER Glycine 0 N--CA 1.494 2.53 0 C-N-CA 119.293 -1.432 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 173' ' ' ARG . . . -81.34 -10.04 59.63 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.566 -0.961 . . . . 0.0 110.048 -179.345 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 77.9 p -61.92 -40.07 94.23 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.96 -1.088 . . . . 0.0 109.608 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -59.98 -44.03 94.75 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.15 -0.968 . . . . 0.0 109.533 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 170' ' ' ALA . 40.7 ttm180 -95.49 131.37 41.74 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.12 -0.988 . . . . 0.0 109.418 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.499 1.977 0 O-C-N 120.883 -1.135 . . . . 0.0 109.51 179.937 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.0 ptm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.49 140.0 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.901 -1.125 . . . . 0.0 109.36 178.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.66 130.05 7.25 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.234 -0.917 . . . . 0.0 109.456 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.693 ' CD ' ' H ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -61.0 145.84 88.65 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 118.144 -1.422 . . . . 0.0 107.59 179.376 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.445 ' O ' ' OG1' ' A' ' 81' ' ' THR . 27.6 Cg_endo -60.05 -30.03 90.58 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.091 1.861 . . . . 0.0 112.435 178.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 80' ' ' PRO . 97.7 m -170.0 144.53 2.73 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 121.091 -1.005 . . . . 0.0 111.181 -178.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mp -91.62 128.89 37.63 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 45.2 tp10 -125.14 -111.61 0.3 Allowed 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.208 -0.933 . . . . 0.0 110.419 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.49 141.17 55.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.505 -0.747 . . . . 0.0 111.194 -178.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 83' ' ' GLU . 81.2 m-70 -145.95 65.55 1.21 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 0.0 110.753 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -59.97 -40.24 88.4 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 178.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 1.3 p90 -99.34 -107.51 0.2 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 88' ' ' ASP . 31.3 p-10 -160.91 83.19 0.66 Allowed 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.102 -0.999 . . . . 0.0 108.667 179.164 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.19 -39.89 88.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.712 -0.617 . . . . 0.0 109.877 -179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -60.01 -39.79 87.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.054 -1.029 . . . . 0.0 110.134 -179.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.85 87.32 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.175 -0.953 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.0 -47.19 86.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.108 -0.995 . . . . 0.0 108.594 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.404 ' HE1' ' HG2' ' A' ' 79' ' ' ARG . 74.6 m95 -64.04 -34.35 77.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 109.102 179.304 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -60.03 -41.48 92.29 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.733 -1.229 . . . . 0.0 109.046 -179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -40.46 94.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.16 -0.963 . . . . 0.0 108.632 179.28 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.433 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.0 t-105 -61.36 -49.34 77.34 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -58.86 -39.85 82.57 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.961 -1.087 . . . . 0.0 109.347 -179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -86.96 -3.04 59.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.066 -1.021 . . . . 0.0 109.117 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.01 154.08 42.68 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.143 -0.973 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.9 t -72.34 159.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.888 -1.132 . . . . 0.0 109.808 -179.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -59.96 -40.09 87.83 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.775 -0.578 . . . . 0.0 109.636 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 t -58.09 -40.75 81.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.178 -0.951 . . . . 0.0 109.153 -179.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -63.71 -41.99 98.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -69.43 -41.05 76.84 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.428 -0.795 . . . . 0.0 109.643 179.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -60.0 -49.74 76.49 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.097 -1.002 . . . . 0.0 109.137 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.03 -45.59 94.17 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 121.589 0.709 . . . . 0.0 109.511 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.65 -43.02 98.11 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.673 -1.267 . . . . 0.0 109.97 -179.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.27 -40.03 94.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.001 -1.062 . . . . 0.0 110.486 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -61.66 -39.88 92.93 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.814 -1.179 . . . . 0.0 110.553 -179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.434 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.3 m95 -82.65 -6.17 59.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.115 -0.991 . . . . 0.0 111.101 -178.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.437 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 10.1 tp -74.63 -46.13 5.48 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.385 -1.447 . . . . 0.0 112.249 -178.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 73.9 Cg_endo -70.99 -21.41 27.8 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 CA-C-N 120.852 1.34 . . . . 0.0 112.047 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.09 53.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.892 -1.13 . . . . 0.0 109.816 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.3 t -69.83 -40.94 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.252 -0.905 . . . . 0.0 109.65 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -68.65 -40.56 80.16 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.47 -0.769 . . . . 0.0 110.4 -178.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.49 -43.55 98.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.318 -0.864 . . . . 0.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.65 90.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.019 -1.051 . . . . 0.0 110.143 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 35.8 t0 -59.89 -47.47 85.63 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.061 -1.024 . . . . 0.0 110.377 -179.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -61.13 -40.13 92.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.907 . . . . 0.0 109.701 -178.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.1 mtt -61.24 -40.05 92.61 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.381 -0.825 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.46 -39.62 92.23 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.02 -40.1 92.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.938 . . . . 0.0 109.834 -179.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -77.46 1.52 18.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.079 -1.013 . . . . 0.0 109.381 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.13 40.31 50.79 Favored Glycine 0 N--CA 1.488 2.15 0 C-N-CA 120.154 -1.022 . . . . 0.0 111.699 178.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 6.6 mm -79.95 141.68 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.179 -1.189 . . . . 0.0 109.096 179.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 t -56.26 139.67 47.32 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.738 -1.226 . . . . 0.0 108.673 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 p -59.75 -44.36 93.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.738 -1.226 . . . . 0.0 109.682 -178.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -59.02 -44.36 91.71 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 120.716 -1.24 . . . . 0.0 109.216 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 92.3 m -69.87 -41.53 74.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.964 -1.085 . . . . 0.0 109.604 179.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.53 -50.96 71.46 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.376 -0.827 . . . . 0.0 110.559 -179.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.71 -39.95 76.57 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.16 -0.963 . . . . 0.0 109.308 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -42.72 97.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.938 -1.101 . . . . 0.0 109.714 179.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 95.1 m -60.6 -43.75 97.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.023 -1.048 . . . . 0.0 109.142 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.78 -41.67 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.064 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -67.23 -29.12 68.69 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.001 -1.062 . . . . 0.0 109.849 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.89 -49.5 22.62 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -72.12 -40.35 68.2 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.813 -1.404 . . . . 0.0 109.146 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' ' O ' ' A' ' 135' ' ' ALA . 92.4 m-85 -99.26 134.58 41.91 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.392 -0.818 . . . . 0.0 109.28 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -83.8 61.58 6.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.009 -1.057 . . . . 0.0 109.516 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.41 157.03 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-O 121.816 0.817 . . . . 0.0 110.775 -179.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.6 t -72.0 130.14 40.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.13 88.82 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.26 -0.9 . . . . 0.0 109.824 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 66.3 m -60.61 -40.08 90.51 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.09 -1.006 . . . . 0.0 110.01 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 52.6 m -63.46 -47.65 80.94 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.218 -0.926 . . . . 0.0 110.327 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 38.9 tp -60.09 -40.57 90.08 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.441 0.638 . . . . 0.0 109.855 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -59.58 -48.03 83.24 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 109.696 -179.016 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.5 -43.94 96.49 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.118 -0.989 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.63 -37.64 87.14 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.547 -0.721 . . . . 0.0 110.14 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.92 -47.1 87.16 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.341 -0.849 . . . . 0.0 110.172 -178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -67.83 -32.35 72.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.942 -1.099 . . . . 0.0 109.226 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.03 -40.02 87.88 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.0 110.52 -179.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -82.26 -13.03 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.926 -1.108 . . . . 0.0 111.328 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -59.31 -38.27 79.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.743 -1.223 . . . . 0.0 109.648 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -76.09 -3.15 34.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.565 -1.334 . . . . 0.0 109.804 -179.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -114.03 144.04 43.77 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.225 -0.922 . . . . 0.0 109.045 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -57.86 147.27 29.07 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.3 mptt -59.55 -39.97 75.89 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 120.813 -1.179 . . . . 0.0 112.018 -177.363 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 35.6 Cg_exo -57.42 -38.88 92.97 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.736 1.624 . . . . 0.0 113.102 -179.811 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 8.0 p-10 -88.99 5.53 43.83 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.79 -1.194 . . . . 0.0 110.378 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 26.5 m0 -57.92 -40.0 79.36 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.704 -1.248 . . . . 0.0 108.983 178.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.9 -39.87 82.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.072 -1.017 . . . . 0.0 108.792 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.44 57.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.305 -0.872 . . . . 0.0 110.165 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -66.69 -23.85 66.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.275 -0.891 . . . . 0.0 110.918 -178.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 78.4 mt -69.72 -28.25 65.66 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.647 -1.283 . . . . 0.0 110.989 -178.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 166' ' ' ASP . 1.2 m -70.06 -39.13 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.815 -1.178 . . . . 0.0 109.466 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.408 ' N ' ' CG2' ' A' ' 165' ' ' VAL . 11.5 t0 -90.75 128.27 36.62 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -148.95 89.16 0.14 Allowed Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -83.85 146.04 28.31 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.277 -1.131 . . . . 0.0 108.741 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -78.75 -15.74 80.25 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.69 86.54 5.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.123 -1.222 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 68.5 m -63.78 -43.43 96.38 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.171 -0.955 . . . . 0.0 109.369 179.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -158.49 125.67 4.93 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.423 -0.798 . . . . 0.0 108.899 179.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -93.35 -15.93 25.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.931 -1.106 . . . . 0.0 110.448 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.428 ' OD1' ' OXT' ' A' ' 174' ' ' ASN . 35.8 p-10 . . . . . 0 N--CA 1.504 2.247 0 O-C-N 120.868 -1.145 . . . . 0.0 109.608 179.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.478 ' SD ' ' NH1' ' A' ' 104' ' ' ARG . 63.2 mtt . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 77' ' ' ILE . 20.7 tt -61.18 140.05 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.711 179.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.57 137.2 42.2 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.583 -1.323 . . . . 0.0 109.347 177.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.657 ' CD ' ' H ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -60.06 149.96 72.29 Favored Pre-proline 0 N--CA 1.497 1.921 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.651 178.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.73 149.06 85.25 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.141 1.227 . . . . 0.0 110.777 175.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 m -60.21 139.61 57.46 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.479 -1.388 . . . . 0.0 108.238 176.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD13 HH21 ' A' ' 89' ' ' ARG . 49.0 mt -97.31 111.96 23.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.854 -1.154 . . . . 0.0 109.722 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -176.0 -29.94 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 119.567 -0.853 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.08 -37.06 10.77 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.167 -0.958 . . . . 0.0 112.57 -176.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.461 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -59.45 141.44 54.69 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.694 -1.254 . . . . 0.0 109.975 -178.106 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 23.9 t0 -103.39 -5.04 23.32 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 89' ' ' ARG . 28.4 p90 -100.63 143.25 31.02 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 14.3 p-10 -61.54 79.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.953 0.882 . . . . 0.0 108.746 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.623 HH21 HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -62.23 -14.3 36.74 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.691 -0.631 . . . . 0.0 111.276 -179.349 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -59.8 -39.97 86.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.562 -1.336 . . . . 0.0 110.014 -178.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.5 96.1 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.833 -1.167 . . . . 0.0 109.424 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.41 -51.28 66.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.764 -0.585 . . . . 0.0 111.319 -178.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -67.35 -25.74 66.14 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.046 -1.034 . . . . 0.0 109.722 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.3 m -59.85 -41.57 91.71 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.656 -1.278 . . . . 0.0 108.646 179.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -61.22 -40.79 95.32 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.5 t-105 -60.27 -49.23 78.42 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 58.9 t0 -58.94 -38.04 78.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 109.202 -179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -82.57 -9.93 59.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.102 -0.999 . . . . 0.0 109.48 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.21 150.04 46.87 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.271 -0.893 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.62 161.39 31.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.914 -1.116 . . . . 0.0 109.552 179.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.558 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 6.2 m-20 -60.15 -39.88 87.93 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.597 -0.689 . . . . 0.0 110.718 -178.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.5 m -59.73 -40.01 86.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.845 -1.159 . . . . 0.0 109.561 -178.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 103' ' ' GLN . 21.0 mp0 -66.75 -40.39 88.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.852 -1.155 . . . . 0.0 109.488 179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.558 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 86.8 mtm180 -69.96 -40.05 75.64 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.604 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 105' ' ' ARG . 35.3 ttt-85 -62.57 -42.17 99.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.349 -0.844 . . . . 0.0 110.354 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.96 -42.75 98.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.004 -1.06 . . . . 0.0 109.288 -179.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.62 93.62 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.062 -1.024 . . . . 0.0 109.491 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.24 -40.66 91.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.328 -0.858 . . . . 0.0 110.102 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -67.64 -40.07 84.62 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.531 ' CD2' ' NZ ' ' A' ' 148' ' ' LYS . 65.8 m95 -80.56 -10.15 59.75 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.142 -0.974 . . . . 0.0 112.317 -178.226 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 32.7 tp -75.3 -47.28 4.44 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 120.371 -1.455 . . . . 0.0 111.497 -178.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 53.8 Cg_endo -65.48 -21.51 60.2 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 CA-C-N 121.019 1.4 . . . . 0.0 112.41 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.1 -39.9 32.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.07 -1.019 . . . . 0.0 110.441 -179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 110' ' ' TRP . 58.2 t -65.57 -45.84 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.231 -0.918 . . . . 0.0 109.489 -179.289 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.97 -40.05 90.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.98 -1.075 . . . . 0.0 110.247 -179.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.16 93.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.878 -1.138 . . . . 0.0 108.914 -179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.28 89.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.521 -0.737 . . . . 0.0 109.4 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 118' ' ' ASP . 49.1 t0 -59.2 -39.16 81.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.12 -0.987 . . . . 0.0 109.628 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.05 -39.96 87.76 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.041 -1.037 . . . . 0.0 109.878 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.8 mmt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.754 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.15 -33.04 73.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 109.706 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -59.99 -39.7 86.64 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.224 -0.923 . . . . 0.0 110.66 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -77.15 4.18 10.96 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.871 -1.143 . . . . 0.0 110.041 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.64 28.47 70.9 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.784 178.731 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 126' ' ' SER . 96.6 mt -75.28 157.24 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.981 -1.305 . . . . 0.0 108.749 179.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 125' ' ' ILE . 48.3 t -60.03 140.3 56.89 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.89 -1.131 . . . . 0.0 109.706 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.0 p -59.81 -41.25 90.84 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.843 -1.16 . . . . 0.0 110.299 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -60.11 -46.73 88.62 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.527 -178.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.2 m -67.59 -39.93 84.8 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.75 41.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.509 -0.744 . . . . 0.0 110.955 -179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.136 -0.978 . . . . 0.0 109.618 -179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.12 93.65 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.423 -0.798 . . . . 0.0 109.554 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.2 m -61.84 -45.7 92.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.102 -0.999 . . . . 0.0 108.975 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.04 -47.04 80.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.65 -31.1 72.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.322 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -70.76 -47.0 42.65 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -73.94 -43.82 57.01 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.022 -1.281 . . . . 0.0 109.393 179.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.448 ' O ' ' O ' ' A' ' 135' ' ' ALA . 87.0 m-85 -96.37 134.54 39.39 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.21 -0.932 . . . . 0.0 109.415 179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -83.37 65.81 8.52 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.42 -0.8 . . . . 0.0 109.1 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.27 157.91 42.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.495 -0.753 . . . . 0.0 109.668 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.1 t -72.24 129.13 37.72 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.486 -0.759 . . . . 0.0 110.042 -179.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.51 86.38 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.209 -0.932 . . . . 0.0 110.03 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 t -63.99 -40.68 96.92 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.95 -1.094 . . . . 0.0 109.969 -178.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.5 m -61.97 -50.09 73.5 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.237 -0.914 . . . . 0.0 109.606 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.21 -41.88 93.98 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.096 -1.003 . . . . 0.0 109.745 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.06 -45.61 92.3 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.923 -1.111 . . . . 0.0 110.6 -179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 147' ' ' ASP . 46.8 t0 -60.03 -47.91 83.89 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.884 -1.135 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.531 ' NZ ' ' CD2' ' A' ' 110' ' ' TRP . 49.6 mtmt -69.51 -30.42 68.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.491 -0.756 . . . . 0.0 110.855 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -58.75 -49.92 75.84 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.187 -1.005 . . . . 0.0 109.693 -178.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -69.94 -33.79 72.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.828 -1.17 . . . . 0.0 110.428 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.28 -39.78 88.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.947 -1.096 . . . . 0.0 111.666 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.3 m -81.14 -10.65 12.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 120.605 -1.309 . . . . 0.0 112.136 -178.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -58.2 -38.6 77.08 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.589 -1.32 . . . . 0.0 110.398 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -75.07 -5.81 46.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.818 -1.176 . . . . 0.0 109.747 -179.029 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.46 145.56 39.99 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.479 -0.763 . . . . 0.0 109.901 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.559 ' HB3' ' OD2' ' A' ' 159' ' ' ASP . . . -61.38 140.05 58.09 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.739 0.781 . . . . 0.0 110.817 -178.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 40.0 mttp -51.41 -49.98 79.05 Favored Pre-proline 0 N--CA 1.488 1.467 0 O-C-N 121.622 -0.674 . . . . 0.0 111.318 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 12.1 Cg_endo -54.55 -30.49 65.26 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.39 1.394 . . . . 0.0 112.71 -179.362 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.559 ' OD2' ' HB3' ' A' ' 156' ' ' ALA . 4.3 p30 -88.54 -0.03 56.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.161 -0.962 . . . . 0.0 109.97 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 29.3 m0 -56.53 -39.99 74.31 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.914 -1.116 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.87 94.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.6 -1.312 . . . . 0.0 109.683 -179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -75.75 -35.67 60.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.352 -0.842 . . . . 0.0 109.747 179.545 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -62.98 -35.78 81.33 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.517 -0.739 . . . . 0.0 111.348 -178.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.38 -21.4 62.87 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.841 -1.162 . . . . 0.0 111.429 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 162' ' ' ALA . 0.9 OUTLIER -68.69 -40.33 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 120.678 -1.264 . . . . 0.0 109.677 -178.607 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.04 121.44 34.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.13 -0.981 . . . . 0.0 109.564 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.28 -145.36 1.68 Allowed Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.403 ' NH2' ' OD1' ' A' ' 147' ' ' ASP . 99.2 mtt180 -85.04 118.01 24.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.991 -1.299 . . . . 0.0 109.958 -179.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -175.78 103.17 0.18 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.57 ' HB3' ' HE ' ' A' ' 172' ' ' ARG . . . -78.5 156.1 29.46 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.447 -1.031 . . . . 0.0 109.452 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 28.1 t -100.66 117.97 35.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.095 -1.003 . . . . 0.0 109.13 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.626 ' CG ' HH11 ' A' ' 172' ' ' ARG . 0.0 OUTLIER -155.54 155.26 33.08 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.551 -0.718 . . . . 0.0 109.165 179.69 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -145.67 -16.99 0.47 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.028 -1.045 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.502 2.16 0 O-C-N 121.105 -0.997 . . . . 0.0 109.942 179.977 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.5 mmt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.542 ' H ' HD13 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -60.07 140.88 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.274 -0.891 . . . . 0.0 108.721 179.634 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.92 107.37 12.65 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -60.56 146.01 86.2 Favored Pre-proline 0 N--CA 1.494 1.736 0 C-N-CA 118.162 -1.415 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -69.95 149.87 66.25 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.201 1.267 . . . . 0.0 110.958 176.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.8 m -59.99 140.0 57.05 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 119.956 -1.715 . . . . 0.0 108.23 178.315 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -100.83 124.36 46.37 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.702 -0.624 . . . . 0.0 109.508 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -170.27 -53.66 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.282 -0.886 . . . . 0.0 109.227 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -96.8 103.82 15.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.813 . . . . 0.0 110.037 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.421 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -175.43 128.28 0.26 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.148 -0.97 . . . . 0.0 108.974 178.735 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -86.47 -4.05 59.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.074 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 13.0 p90 -117.96 155.85 29.52 Favored 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -73.35 87.87 1.53 Allowed 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.891 -1.13 . . . . 0.0 109.619 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.775 HH12 ' HE1' ' A' ' 93' ' ' TRP . 0.4 OUTLIER -60.46 -39.84 89.05 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.583 0.706 . . . . 0.0 109.69 179.559 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.64 -34.75 73.2 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.141 -0.974 . . . . 0.0 109.882 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.34 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.244 -0.91 . . . . 0.0 110.346 -178.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.58 -52.36 64.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.065 -1.022 . . . . 0.0 109.212 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.775 ' HE1' HH12 ' A' ' 89' ' ' ARG . 96.3 m95 -69.94 -29.13 66.2 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.273 -0.892 . . . . 0.0 110.295 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.8 m -59.85 -41.12 90.73 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.009 -1.057 . . . . 0.0 109.016 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -63.44 -40.07 96.17 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.46 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 3.9 t-105 -61.61 -47.74 84.07 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 178.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -59.12 -39.59 82.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -80.86 -8.13 59.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.322 -0.861 . . . . 0.0 109.404 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.83 44.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.383 -0.823 . . . . 0.0 109.574 -179.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 t -72.21 162.36 29.57 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.335 -0.853 . . . . 0.0 110.215 -179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 101' ' ' ASP . 58.2 t0 -60.05 -39.82 87.3 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.876 -0.515 . . . . 0.0 109.796 -179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.7 m -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.808 -1.182 . . . . 0.0 109.821 -179.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.13 -41.78 85.57 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.092 -1.005 . . . . 0.0 110.085 -179.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -69.16 -40.01 78.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.914 -1.116 . . . . 0.0 109.089 179.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -63.07 -40.22 97.03 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.463 -0.773 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.96 -50.04 75.33 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.867 -1.146 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.84 86.24 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.153 -0.967 . . . . 0.0 109.802 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.79 -40.08 91.3 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.944 -1.098 . . . . 0.0 109.761 -179.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -65.01 -39.9 94.12 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.533 -0.73 . . . . 0.0 110.549 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.422 ' O ' HG23 ' A' ' 114' ' ' VAL . 86.3 m95 -81.21 -10.44 59.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.259 -0.901 . . . . 0.0 110.806 -179.055 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.467 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 50.7 tp -70.92 -47.9 14.81 Favored Pre-proline 0 N--CA 1.491 1.606 0 O-C-N 120.516 -1.365 . . . . 0.0 111.981 -177.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 38.5 Cg_endo -65.08 -25.06 58.83 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 CA-C-N 120.857 1.342 . . . . 0.0 112.211 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.27 -43.25 52.34 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.824 -179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 110' ' ' TRP . 47.5 t -69.9 -40.94 79.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 O-C-N 121.303 -0.873 . . . . 0.0 109.456 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -69.24 -41.81 76.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.992 -1.068 . . . . 0.0 109.842 -179.647 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.02 88.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.745 -1.222 . . . . 0.0 109.836 179.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.86 86.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.058 -1.026 . . . . 0.0 109.792 -179.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.97 -43.53 95.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.215 -0.928 . . . . 0.0 109.74 -179.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.05 -41.53 96.78 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.284 -0.885 . . . . 0.0 109.768 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.19 -41.29 98.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.773 -1.204 . . . . 0.0 109.569 179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.06 -36.61 84.57 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.682 -0.636 . . . . 0.0 109.289 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.06 -40.41 89.4 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.674 -0.641 . . . . 0.0 110.142 -179.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.512 HE21 HD11 ' A' ' 125' ' ' ILE . 16.6 tt0 -72.36 -0.61 12.83 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.25 -0.906 . . . . 0.0 109.047 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.12 29.0 65.28 Favored Glycine 0 N--CA 1.496 2.641 0 O-C-N 120.951 -1.093 . . . . 0.0 111.837 177.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.512 HD11 HE21 ' A' ' 123' ' ' GLN . 94.8 mt -74.15 144.26 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 120.973 -1.31 . . . . 0.0 108.167 178.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.1 t -56.53 139.97 47.81 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.295 -0.878 . . . . 0.0 109.567 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.6 p -58.87 -41.25 86.61 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.07 -1.019 . . . . 0.0 110.289 -179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.52 -44.59 93.11 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.947 -1.096 . . . . 0.0 108.875 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.2 m -69.93 -42.31 73.46 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.88 -1.138 . . . . 0.0 109.83 178.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.04 75.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.185 -0.947 . . . . 0.0 110.379 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -66.57 -39.43 88.49 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.88 -1.137 . . . . 0.0 109.181 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.81 -48.66 80.78 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.03 -1.044 . . . . 0.0 109.033 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 94.0 m -63.02 -44.07 96.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.184 -0.947 . . . . 0.0 110.018 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.6 -49.88 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.411 -0.805 . . . . 0.0 109.766 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.84 -28.56 69.64 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.432 -0.792 . . . . 0.0 109.179 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.53 -48.25 14.01 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -70.59 -42.3 71.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.332 -1.099 . . . . 0.0 109.62 179.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.442 ' O ' ' O ' ' A' ' 135' ' ' ALA . 90.5 m-85 -99.9 138.78 36.5 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.268 -0.895 . . . . 0.0 109.287 179.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -84.14 63.69 7.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.239 -0.913 . . . . 0.0 109.139 179.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.8 m -130.13 159.87 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 CA-C-O 121.765 0.793 . . . . 0.0 109.679 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 m -75.46 127.81 33.94 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.416 -0.803 . . . . 0.0 109.031 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.62 90.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.032 -1.043 . . . . 0.0 109.532 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.1 m -62.01 -40.31 95.25 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.408 -0.808 . . . . 0.0 110.415 -179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 21.6 m -65.37 -46.06 81.64 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.982 -1.074 . . . . 0.0 109.45 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.09 -41.53 92.68 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 110.061 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -59.94 -49.06 79.16 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.185 -0.947 . . . . 0.0 110.278 -178.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.45 -43.86 96.42 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.846 -1.159 . . . . 0.0 111.208 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.79 -34.33 76.56 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.992 -1.067 . . . . 0.0 110.963 -179.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -60.13 -49.58 77.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.802 -1.186 . . . . 0.0 110.355 -178.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -67.91 -36.74 80.7 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.643 -1.286 . . . . 0.0 110.059 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.01 -40.33 88.9 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.222 -0.924 . . . . 0.0 111.506 -178.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.6 m -81.96 -7.72 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 120.996 -1.065 . . . . 0.0 110.252 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 153' ' ' GLN . 1.9 tm0? -58.86 -40.29 83.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 120.939 -1.1 . . . . 0.0 110.01 -179.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -79.56 -3.38 46.68 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.888 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -106.48 141.08 38.36 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.261 -0.899 . . . . 0.0 109.65 -179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -59.32 144.98 44.9 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.263 -0.898 . . . . 0.0 108.703 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 12.9 mptt -59.04 -40.01 78.27 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 120.942 -1.099 . . . . 0.0 111.646 -177.366 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 33.7 Cg_exo -61.77 -35.76 77.56 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 121.814 1.676 . . . . 0.0 112.417 -179.242 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -84.72 0.73 49.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.441 -0.787 . . . . 0.0 110.414 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 28.6 m0 -56.98 -39.98 75.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.988 -1.07 . . . . 0.0 109.487 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.9 84.86 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.047 -1.033 . . . . 0.0 109.422 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.19 60.87 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.866 -1.147 . . . . 0.0 109.771 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.99 81.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.137 -0.977 . . . . 0.0 110.546 -179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.91 -39.69 87.46 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.24 -0.913 . . . . 0.0 110.049 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.4 t -68.98 -40.12 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.08 -1.013 . . . . 0.0 109.065 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -85.97 134.9 33.84 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.078 -1.014 . . . . 0.0 109.685 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -83.49 -92.92 0.65 Allowed Glycine 0 N--CA 1.496 2.675 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' A' ' 168' ' ' ARG . 18.1 ptt-85 -90.21 134.6 34.19 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.865 -1.373 . . . . 0.0 109.681 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -84.95 1.06 89.1 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.74 2.69 18.87 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.219 -1.165 . . . . 0.0 109.963 -179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 17.7 t -60.16 -45.83 91.73 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.898 -1.126 . . . . 0.0 109.171 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -160.85 158.58 28.59 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.202 -0.936 . . . . 0.0 109.363 179.433 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -143.57 -59.71 0.41 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.395 -0.815 . . . . 0.0 109.021 179.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 61.9 t30 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.895 -179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.641 ' N ' HH11 ' A' ' 79' ' ' ARG . 37.3 ttp . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.469 0.652 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.07 -34.22 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.398 -0.814 . . . . 0.0 110.574 -178.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.05 -21.94 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.552 -1.343 . . . . 0.0 112.795 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.641 HH11 ' N ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -53.69 -40.1 78.05 Favored Pre-proline 0 C--O 1.204 -1.319 0 O-C-N 120.093 -1.629 . . . . 0.0 112.72 -179.55 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 79' ' ' ARG . 46.6 Cg_exo -54.78 -39.61 88.8 Favored 'Trans proline' 0 C--N 1.302 -1.915 0 O-C-N 119.584 -0.798 . . . . 0.0 110.293 -177.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.5 m -95.9 136.61 36.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.636 -1.29 . . . . 0.0 109.172 179.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 82' ' ' LEU . 40.1 mt -151.9 108.49 3.47 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.293 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.538 ' N ' ' NE2' ' A' ' 85' ' ' HIS . 83.4 tt0 -166.38 -52.82 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.8 -1.188 . . . . 0.0 110.245 -179.38 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.78 90.42 8.29 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.442 -0.786 . . . . 0.0 110.415 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.538 ' NE2' ' N ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -177.21 104.48 0.05 Allowed 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.109 -0.994 . . . . 0.0 109.872 178.725 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -68.42 -20.01 64.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.466 -1.396 . . . . 0.0 108.059 178.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 3.6 p90 -103.28 137.87 40.83 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 88' ' ' ASP . 13.2 p-10 -74.55 83.08 2.01 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.778 -1.201 . . . . 0.0 109.301 -179.13 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 89' ' ' ARG . 3.6 ptp180 -64.24 -9.21 15.85 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.259 -0.901 . . . . 0.0 110.164 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -55.57 -39.08 70.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.166 -1.049 . . . . 0.0 108.166 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.98 90.85 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.44 -40.91 98.41 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -64.15 -35.1 79.67 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.743 -0.598 . . . . 0.0 109.435 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.1 t -59.89 -39.83 86.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.735 -1.228 . . . . 0.0 109.094 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.42 -40.14 89.96 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 2.2 t-105 -61.94 -46.18 90.46 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.276 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.96 -40.49 89.2 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.864 -1.147 . . . . 0.0 110.094 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -82.65 -7.07 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.971 -1.081 . . . . 0.0 109.016 -179.309 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 148.78 49.38 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.27 -0.894 . . . . 0.0 109.823 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.2 m -69.78 158.23 35.83 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.298 -0.876 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 102' ' ' SER . 31.7 p-10 -59.75 -37.08 78.0 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.824 . . . . 0.0 110.225 -179.147 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 92.8 p -59.77 -40.73 89.21 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.336 -0.853 . . . . 0.0 109.267 -179.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -64.17 -43.52 94.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.784 -1.198 . . . . 0.0 108.654 178.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -70.06 -41.68 73.83 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.231 -0.918 . . . . 0.0 109.663 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.213 -0.93 . . . . 0.0 109.038 -179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.39 -49.82 76.07 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.24 88.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.097 -1.002 . . . . 0.0 109.355 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -60.65 -39.04 86.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.156 -0.965 . . . . 0.0 109.799 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -63.14 -40.0 96.31 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.098 -1.001 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 84.9 m95 -84.33 -6.73 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.246 -0.909 . . . . 0.0 111.412 -178.786 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 5.5 tp -73.21 -45.28 8.02 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 120.509 -1.37 . . . . 0.0 112.227 -178.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.8 Cg_endo -66.77 -30.4 41.19 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 CA-C-N 120.811 1.325 . . . . 0.0 112.435 -179.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -40.65 50.08 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.72 -1.238 . . . . 0.0 110.249 -179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 110' ' ' TRP . 60.7 t -70.4 -44.63 77.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.142 -0.974 . . . . 0.0 109.348 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 -63.0 -43.48 98.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 109.149 -179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.46 89.57 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.53 -0.732 . . . . 0.0 109.408 179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.65 85.57 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 109.843 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -59.95 -45.79 91.51 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.804 -1.185 . . . . 0.0 109.988 -179.025 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.38 -42.43 95.82 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.883 -1.136 . . . . 0.0 110.34 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 97.4 mtp -65.63 -40.27 92.38 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.202 -0.936 . . . . 0.0 110.718 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 121' ' ' LEU . 91.9 mt -62.47 -39.8 94.62 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.142 -0.974 . . . . 0.0 109.453 -179.739 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.35 -0.844 . . . . 0.0 109.316 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -59.88 -9.56 3.09 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.474 -0.766 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.84 29.61 64.91 Favored Glycine 0 N--CA 1.495 2.612 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.438 178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.66 145.31 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -1.223 . . . . 0.0 108.347 178.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.1 m -53.01 137.81 32.04 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.115 -0.991 . . . . 0.0 108.698 -179.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.7 p -58.29 -43.21 87.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.647 -0.658 . . . . 0.0 110.135 -178.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -59.86 -48.6 81.03 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.067 -1.021 . . . . 0.0 109.621 -179.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 95.9 m -66.29 -42.02 88.94 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.17 -0.956 . . . . 0.0 109.537 179.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -50.87 72.05 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.523 -0.735 . . . . 0.0 111.124 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -67.35 -39.09 85.74 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.94 -1.1 . . . . 0.0 109.602 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.19 74.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.332 -0.855 . . . . 0.0 109.163 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.7 m -61.19 -42.51 98.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.894 -1.129 . . . . 0.0 110.061 179.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.71 -45.44 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.284 -0.885 . . . . 0.0 109.663 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -66.77 -27.14 67.35 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.01 -45.68 40.28 Favored Glycine 0 N--CA 1.484 1.837 0 N-CA-C 109.061 -1.616 . . . . 0.0 109.061 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -75.59 -44.37 43.44 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.279 -1.13 . . . . 0.0 109.027 179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.437 ' O ' ' O ' ' A' ' 135' ' ' ALA . 91.8 m-85 -97.46 139.99 32.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.34 -0.85 . . . . 0.0 110.074 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -85.08 63.39 8.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.916 -1.115 . . . . 0.0 109.494 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.38 157.69 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.338 -0.851 . . . . 0.0 109.953 179.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.0 t -73.07 131.6 42.3 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.393 -0.817 . . . . 0.0 109.629 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.39 89.6 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.719 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 35.9 t -65.08 -39.97 93.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.903 -1.123 . . . . 0.0 110.349 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.9 m -64.86 -48.68 73.42 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.081 -1.012 . . . . 0.0 110.713 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.89 -44.75 94.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.101 -0.999 . . . . 0.0 110.133 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -60.1 -48.82 80.14 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.771 -1.206 . . . . 0.0 109.976 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.03 -49.13 78.64 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.02 -1.05 . . . . 0.0 110.38 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -67.04 -31.44 71.97 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.231 -0.918 . . . . 0.0 110.668 -179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.36 -40.99 83.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.038 -1.039 . . . . 0.0 109.467 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.56 -35.18 70.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.185 -0.947 . . . . 0.0 110.204 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.26 -40.03 88.91 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.18 -0.95 . . . . 0.0 111.302 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.12 -12.79 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.078 -1.014 . . . . 0.0 109.381 -179.538 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -59.8 -37.58 79.56 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.577 -0.702 . . . . 0.0 109.859 -179.053 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -76.35 -6.19 50.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.417 -0.802 . . . . 0.0 110.547 -179.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -109.94 149.58 29.72 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.097 -1.002 . . . . 0.0 109.948 -179.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.99 57.12 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 108.741 -179.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.8 OUTLIER -50.1 -49.9 72.67 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 120.98 -1.075 . . . . 0.0 110.238 -179.059 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 50.0 Cg_exo -53.35 -34.13 69.32 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.108 1.872 . . . . 0.0 112.651 -179.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' A' ' 159' ' ' ASP . 9.5 t0 -87.4 1.07 54.44 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.359 -0.838 . . . . 0.0 110.146 -179.089 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -59.41 -40.35 86.36 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.893 -1.129 . . . . 0.0 109.135 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.29 -46.89 76.18 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.686 -1.258 . . . . 0.0 109.291 -179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.4 62.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.146 -0.971 . . . . 0.0 109.603 179.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 166' ' ' ASP . . . -60.13 -39.27 85.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.207 -0.933 . . . . 0.0 110.049 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.02 -39.79 94.88 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 120.941 -1.1 . . . . 0.0 109.713 -179.414 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.48 -40.42 84.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 O-C-N 121.167 -0.958 . . . . 0.0 109.12 -179.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 167' ' ' GLY . 9.9 t70 -88.58 150.53 23.01 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.432 -0.793 . . . . 0.0 109.546 179.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 166' ' ' ASP . . . -156.81 -164.14 13.19 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -84.77 142.52 29.75 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.182 -1.187 . . . . 0.0 108.769 179.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -79.2 149.34 32.32 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.132 -1.587 . . . . 0.0 109.132 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -80.37 156.01 26.9 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.05 -1.265 . . . . 0.0 109.898 -179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 96.9 p -59.64 -36.92 77.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.397 -0.814 . . . . 0.0 109.155 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' A' ' 172' ' ' ARG . 8.6 mmt-85 -69.94 160.13 32.44 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.247 -0.908 . . . . 0.0 109.835 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' A' ' 173' ' ' ARG . 34.6 ttm-85 -88.17 119.99 29.09 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.127 -0.983 . . . . 0.0 108.965 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.29 -179.394 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.5 mmm . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.93 141.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.707 0 O-C-N 120.784 -1.198 . . . . 0.0 108.937 -179.559 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -70.01 144.41 52.26 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 118.957 -1.097 . . . . 0.0 108.885 -178.601 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 16.9 mtt180 -56.04 -40.06 81.98 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.212 -0.93 . . . . 0.0 112.515 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 25.5 Cg_endo -69.25 150.0 70.78 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 CA-C-N 120.626 1.259 . . . . 0.0 110.734 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.768 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 12.0 m -168.56 80.54 0.15 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.326 -0.859 . . . . 0.0 108.683 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 tp -147.39 28.06 1.0 Allowed 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.946 -1.096 . . . . 0.0 109.006 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.4 mp0 -110.86 -23.67 10.87 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.385 -0.822 . . . . 0.0 110.842 -178.332 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.07 -80.06 0.33 Allowed 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.754 -1.216 . . . . 0.0 110.75 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.608 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 2.3 p-80 -47.39 122.1 4.41 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.281 0.563 . . . . 0.0 109.825 -178.524 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -68.2 -23.93 64.88 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.474 ' O ' ' CD2' ' A' ' 87' ' ' TYR . 19.6 p90 -93.11 113.56 25.84 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.098 -1.001 . . . . 0.0 108.578 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 88' ' ' ASP . 35.0 p-10 -64.15 134.22 54.43 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.452 -0.78 . . . . 0.0 108.993 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.6 ' CG ' HH11 ' A' ' 89' ' ' ARG . 0.0 OUTLIER -144.73 77.54 1.54 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 122.16 0.981 . . . . 0.0 109.27 -179.418 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.533 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 50.2 mp0 -65.5 -40.11 92.66 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.68 -0.638 . . . . 0.0 109.607 179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.73 89.51 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.337 -0.852 . . . . 0.0 110.037 -179.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.45 -55.05 27.35 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.365 -0.834 . . . . 0.0 109.327 179.471 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.768 ' CZ2' HG21 ' A' ' 81' ' ' THR . 86.8 m95 -69.47 -32.68 71.73 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.404 -0.81 . . . . 0.0 110.99 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -59.75 -39.95 86.48 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 120.477 -1.389 . . . . 0.0 108.363 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 99' ' ' ALA . 60.7 tttp -60.83 -42.14 97.15 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 4.3 t-105 -61.01 -50.08 74.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.516 -0.74 . . . . 0.0 109.412 178.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -59.83 -40.17 87.57 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.873 -1.142 . . . . 0.0 109.014 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -86.94 -0.81 57.19 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.543 -0.723 . . . . 0.0 110.245 -179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -67.23 158.57 31.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.245 -0.909 . . . . 0.0 109.148 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.7 t -70.03 153.42 43.23 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.277 -0.889 . . . . 0.0 109.398 -179.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 19.4 p-10 -60.06 -37.2 79.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.166 -0.959 . . . . 0.0 109.611 -179.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.7 p -60.16 -39.99 88.32 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.945 -1.097 . . . . 0.0 108.852 179.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.88 -40.05 95.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.009 -1.057 . . . . 0.0 109.031 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NH1' ' HG3' ' A' ' 104' ' ' ARG . 14.1 mmm-85 -65.24 -41.78 93.99 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -65.7 -44.2 86.88 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.37 0.605 . . . . 0.0 109.711 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.4 -46.01 91.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.679 -179.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.24 94.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.098 -1.001 . . . . 0.0 109.958 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -40.01 87.69 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.368 -0.832 . . . . 0.0 109.545 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.15 -40.2 90.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.214 -0.929 . . . . 0.0 111.418 -179.098 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 114' ' ' VAL . 76.8 m95 -81.16 -8.8 59.83 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.132 -0.98 . . . . 0.0 111.333 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.408 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 63.4 tp -74.95 -47.53 4.76 Favored Pre-proline 0 N--CA 1.498 1.961 0 O-C-N 120.395 -1.441 . . . . 0.0 111.903 -178.112 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 63.5 Cg_endo -70.29 -26.48 25.04 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 CA-C-N 121.077 1.42 . . . . 0.0 112.979 179.702 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.71 -41.4 53.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.693 -1.254 . . . . 0.0 109.841 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 110' ' ' TRP . 62.1 t -69.45 -40.81 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.308 -0.87 . . . . 0.0 108.781 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -65.41 -40.81 93.86 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.205 -0.934 . . . . 0.0 109.711 -179.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.89 95.77 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.34 -0.85 . . . . 0.0 109.932 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.29 -40.44 90.47 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.23 -0.919 . . . . 0.0 109.188 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -58.39 -40.53 82.62 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.038 -1.039 . . . . 0.0 108.856 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.462 ' O ' ' OD1' ' A' ' 122' ' ' ASN . 75.1 tt0 -61.73 -40.24 94.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.933 -1.104 . . . . 0.0 109.989 179.36 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 66.9 mtt -68.58 -40.01 80.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.014 -1.054 . . . . 0.0 109.864 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.73 -40.17 94.14 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.451 -0.781 . . . . 0.0 110.961 -178.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 123' ' ' GLN . 48.2 p30 -68.1 -16.79 64.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.23 -1.544 . . . . 0.0 109.454 -179.55 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 122' ' ' ASN . 7.9 tp-100 -81.55 -0.26 41.29 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.469 -0.769 . . . . 0.0 109.185 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.21 24.43 76.43 Favored Glycine 0 N--CA 1.494 2.509 0 O-C-N 120.935 -1.103 . . . . 0.0 110.972 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.5 mt -80.0 141.57 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.752 -1.44 . . . . 0.0 108.992 179.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.9 m -55.87 140.11 43.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.339 -0.851 . . . . 0.0 109.748 -178.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.9 p -58.1 -44.87 87.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.5 -0.75 . . . . 0.0 110.528 -178.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -58.35 -46.7 85.76 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.872 -1.142 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 83.2 m -67.36 -40.37 85.76 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.439 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.81 -52.09 66.56 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.437 -0.789 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -69.6 -39.41 77.26 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.848 -1.157 . . . . 0.0 109.795 -178.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.73 96.72 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.862 -1.149 . . . . 0.0 109.371 -179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 98.4 m -62.31 -45.3 93.86 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.439 -0.788 . . . . 0.0 109.503 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.3 t -67.82 -45.13 84.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.215 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -61.51 -33.29 73.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.191 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.61 -47.95 24.98 Favored Glycine 0 C--N 1.296 -1.674 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -71.03 -40.22 71.87 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.937 -1.331 . . . . 0.0 109.443 179.516 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 135' ' ' ALA . 63.7 m-85 -100.17 137.95 37.91 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.062 -1.023 . . . . 0.0 109.581 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -82.17 62.15 5.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.972 -1.08 . . . . 0.0 108.652 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.0 159.96 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.3 m -74.4 130.65 40.05 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 109.8 179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.48 85.99 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.151 -0.968 . . . . 0.0 109.592 -179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 98.1 p -65.63 -40.03 92.09 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.566 -0.709 . . . . 0.0 110.588 -179.18 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 69.0 m -62.11 -48.52 79.77 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.906 -1.121 . . . . 0.0 109.404 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.9 -45.57 92.12 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.947 -1.096 . . . . 0.0 109.834 179.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -59.68 -51.75 68.44 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.384 -0.823 . . . . 0.0 110.687 -178.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 147' ' ' ASP . 41.8 t0 -61.38 -40.41 94.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.015 -1.053 . . . . 0.0 109.766 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -67.2 -39.81 86.39 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.922 -0.486 . . . . 0.0 110.695 -178.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -58.45 -48.69 79.9 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.862 -1.149 . . . . 0.0 109.53 -178.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -61.06 -39.87 91.53 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.858 -1.151 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.34 -40.2 93.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.034 -1.041 . . . . 0.0 110.638 -178.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.67 -13.18 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 120.792 -1.193 . . . . 0.0 109.967 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -59.67 -39.6 85.03 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.959 -1.088 . . . . 0.0 109.93 -179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -73.68 -10.41 59.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.292 -0.88 . . . . 0.0 109.638 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -110.43 137.54 48.01 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.296 -0.878 . . . . 0.0 108.988 179.548 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.457 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -61.63 153.65 27.33 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.44 -0.787 . . . . 0.0 109.798 -179.311 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 67.5 mttt -51.16 -54.99 32.14 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.26 -0.9 . . . . 0.0 109.84 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 46.5 Cg_exo -30.64 -50.67 0.22 Allowed 'Trans proline' 0 N--CA 1.49 1.29 0 C-N-CA 122.434 2.09 . . . . 0.0 114.938 179.677 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 36.8 p-10 -89.49 2.77 54.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.834 -1.166 . . . . 0.0 111.809 -177.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -58.27 -40.04 80.84 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.31 -1.494 . . . . 0.0 109.302 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.13 80.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.123 -0.986 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.82 -40.05 66.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.472 -0.768 . . . . 0.0 109.871 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.534 ' O ' ' OD1' ' A' ' 166' ' ' ASP . . . -61.37 -34.97 76.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.529 -0.732 . . . . 0.0 111.029 -178.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.79 -39.87 87.94 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.518 -1.364 . . . . 0.0 111.548 -178.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 19.6 m -74.9 4.9 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 120.543 -1.348 . . . . 0.0 111.125 -178.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.534 ' OD1' ' O ' ' A' ' 163' ' ' ALA . 28.1 p-10 -79.99 113.51 18.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.721 -1.237 . . . . 0.0 109.481 -179.069 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -176.48 175.52 47.55 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 -179.53 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 16.9 ptt-85 -84.99 146.97 26.93 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.948 -1.324 . . . . 0.0 109.043 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -163.64 134.55 3.43 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 -179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -79.98 131.32 35.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.297 -1.12 . . . . 0.0 109.344 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 66.3 m -145.53 -100.8 0.1 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.185 -0.947 . . . . 0.0 109.632 179.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 172' ' ' ARG . 6.3 tpt180 -59.87 -42.64 94.17 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.035 -1.041 . . . . 0.0 109.532 -179.308 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 173' ' ' ARG . 39.6 mtt-85 -94.53 132.05 39.61 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.325 -0.859 . . . . 0.0 109.429 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 . . . . . 0 N--CA 1.494 1.761 0 O-C-N 121.098 -1.001 . . . . 0.0 109.487 179.912 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mm 50.08 -129.33 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.38 -0.825 . . . . 0.0 109.582 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -152.53 165.55 34.8 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.817 -1.177 . . . . 0.0 108.949 -178.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' NH1' ' HG2' ' A' ' 79' ' ' ARG . 3.0 mtt-85 -59.98 146.05 83.18 Favored Pre-proline 0 N--CA 1.5 2.038 0 C-N-CA 119.154 -1.019 . . . . 0.0 109.453 178.707 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -60.29 -29.86 89.84 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 121.614 1.543 . . . . 0.0 113.224 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.483 ' HA ' HH11 ' A' ' 89' ' ' ARG . 69.7 m -60.42 139.71 57.57 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.951 -1.093 . . . . 0.0 109.205 -177.289 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.433 ' O ' ' CE1' ' A' ' 85' ' ' HIS . 65.4 mt -147.17 138.56 24.01 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.575 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.76 5.92 23.13 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.583 -0.698 . . . . 0.0 110.569 -179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -127.52 85.26 2.34 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.654 -0.654 . . . . 0.0 111.081 -178.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.646 ' HD1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -175.11 148.26 0.98 Allowed 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.134 -0.978 . . . . 0.0 110.368 178.112 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -102.64 2.05 35.46 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.068 0.937 . . . . 0.0 108.503 178.657 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -114.2 145.3 41.88 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 27.8 p-10 -65.24 138.11 58.01 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.249 -0.907 . . . . 0.0 108.764 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.483 HH11 ' HA ' ' A' ' 81' ' ' THR . 80.6 mtm180 -61.21 -39.53 90.58 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.656 0.741 . . . . 0.0 111.066 -179.111 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.94 -39.43 85.51 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.259 -0.901 . . . . 0.0 111.472 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.56 -59.25 3.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.393 -1.442 . . . . 0.0 111.518 -178.621 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.462 HD23 ' OD1' ' A' ' 159' ' ' ASP . 63.4 tp -60.03 -49.94 75.7 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.695 -1.253 . . . . 0.0 111.785 -177.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -67.37 -31.24 71.34 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.724 -1.235 . . . . 0.0 110.453 -178.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -60.09 -40.14 88.56 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.401 -1.437 . . . . 0.0 108.892 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.93 -40.51 93.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.499 -0.751 . . . . 0.0 109.118 179.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 6.1 t-105 -60.58 -50.01 75.25 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 121.548 0.689 . . . . 0.0 109.31 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -59.09 -39.73 83.07 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.309 -0.87 . . . . 0.0 108.898 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -82.78 -6.55 59.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.228 -0.92 . . . . 0.0 109.771 -179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.09 154.2 41.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 109.358 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.0 p -73.59 162.81 28.81 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.001 -1.062 . . . . 0.0 109.133 -179.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' NH2' ' A' ' 104' ' ' ARG . 94.8 m-20 -60.03 -39.88 87.41 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.551 -0.718 . . . . 0.0 109.679 -179.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.3 p -60.07 -40.03 88.1 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.011 -1.055 . . . . 0.0 109.588 -179.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -62.38 -41.29 98.53 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.827 -1.171 . . . . 0.0 110.41 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 101' ' ' ASP . 81.7 mtm180 -66.63 -40.12 88.59 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.664 -1.272 . . . . 0.0 109.479 -179.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -63.74 -39.95 95.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.495 -0.753 . . . . 0.0 110.175 -179.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 tp -60.18 -46.43 89.75 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.832 -1.167 . . . . 0.0 108.198 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.53 93.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.784 -1.197 . . . . 0.0 108.976 178.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -61.87 -39.93 93.62 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.495 -0.882 . . . . 0.0 108.745 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -61.23 -38.34 86.31 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.728 -0.608 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -90.09 -0.95 57.86 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.153 -0.967 . . . . 0.0 113.204 -177.731 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 7.0 tp -74.91 -38.55 3.06 Favored Pre-proline 0 N--CA 1.501 2.115 0 O-C-N 119.538 -1.977 . . . . 0.0 110.811 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 37.7 Cg_exo -59.56 -30.73 93.12 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.076 1.851 . . . . 0.0 112.124 179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.98 -49.96 18.2 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.169 -0.957 . . . . 0.0 108.793 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.427 HG13 ' CD2' ' A' ' 149' ' ' TYR . 28.8 t -69.85 -40.22 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.892 -1.13 . . . . 0.0 108.139 179.306 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -63.16 -48.11 79.83 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 108.968 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.27 -41.4 73.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.214 -0.929 . . . . 0.0 110.041 179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.24 85.01 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.0 109.258 -179.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.7 -45.11 93.11 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.382 -0.824 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.87 -40.31 92.46 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.469 -0.77 . . . . 0.0 109.529 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 82.0 mmm -60.69 -40.46 92.24 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.396 -0.815 . . . . 0.0 110.189 -179.364 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.88 -38.76 89.52 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.096 -1.003 . . . . 0.0 109.729 -179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.24 -37.54 80.67 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.161 -0.962 . . . . 0.0 109.495 -178.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -67.06 -6.17 16.15 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.34 31.28 68.71 Favored Glycine 0 N--CA 1.494 2.506 0 O-C-N 121.356 -0.84 . . . . 0.0 111.18 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.0 141.92 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 120.838 -1.389 . . . . 0.0 108.804 178.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.5 t -50.74 134.7 24.68 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 109.271 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.3 p -59.07 -42.89 91.45 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.652 -0.655 . . . . 0.0 110.326 -179.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.86 -44.86 91.13 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.346 -179.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 94.3 m -70.04 -44.84 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.213 -0.929 . . . . 0.0 109.856 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.02 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.298 -0.876 . . . . 0.0 110.567 -179.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.38 -40.19 89.56 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 120.929 -1.107 . . . . 0.0 109.211 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.78 98.08 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.13 -0.981 . . . . 0.0 108.642 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.4 m -62.73 -40.1 96.15 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.512 -0.743 . . . . 0.0 109.433 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.35 -46.26 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.905 . . . . 0.0 109.38 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -65.17 -33.92 77.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.666 -0.646 . . . . 0.0 109.519 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.12 -42.52 76.2 Favored Glycine 0 N--CA 1.483 1.795 0 N-CA-C 108.363 -1.895 . . . . 0.0 108.363 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -75.4 -45.32 39.69 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.099 -1.236 . . . . 0.0 109.289 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 135' ' ' ALA . 95.4 m-85 -101.34 133.9 45.24 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.504 -0.747 . . . . 0.0 109.23 -179.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -82.31 64.33 6.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.819 -1.176 . . . . 0.0 109.453 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 32.7 m -130.15 158.55 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.6 p -71.86 131.17 42.65 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.092 -1.005 . . . . 0.0 109.568 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.28 84.73 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.174 -0.954 . . . . 0.0 108.97 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.3 p -63.8 -39.89 95.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.585 -0.697 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 23.3 m -63.22 -49.75 72.95 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.683 -1.261 . . . . 0.0 109.585 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.64 -43.5 98.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.596 -0.69 . . . . 0.0 110.575 -179.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HG2' ' NH1' ' A' ' 146' ' ' ARG . 44.4 ttt-85 -59.86 -46.74 88.32 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.988 -1.07 . . . . 0.0 109.599 -178.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -60.12 -42.58 95.06 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.202 -0.936 . . . . 0.0 110.815 -179.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -69.82 -35.2 74.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.081 -1.012 . . . . 0.0 110.287 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.427 ' CD2' HG13 ' A' ' 114' ' ' VAL . 27.5 t80 -59.77 -49.6 77.1 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.109 -177.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -65.46 -40.07 92.75 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.267 -0.896 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -59.96 -40.74 90.06 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.001 -1.062 . . . . 0.0 111.299 -179.112 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.69 -10.74 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 120.642 -1.286 . . . . 0.0 110.009 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -59.74 -40.02 86.73 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.46 -0.775 . . . . 0.0 109.51 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -79.76 -6.52 57.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.641 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -104.43 143.91 32.37 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.22 -0.925 . . . . 0.0 109.845 -178.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 158' ' ' PRO . . . -56.98 141.62 44.79 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 158' ' ' PRO . 0.0 OUTLIER -55.82 -42.39 95.86 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 110.505 -178.382 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 157' ' ' LYS . 25.1 Cg_exo -61.88 -31.68 84.96 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.447 1.432 . . . . 0.0 112.035 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.462 ' OD1' HD23 ' A' ' 92' ' ' LEU . 15.1 t70 -85.3 -2.07 57.66 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.303 -0.873 . . . . 0.0 110.369 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 30.9 m0 -59.16 -39.9 83.9 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.345 -0.847 . . . . 0.0 109.367 -179.334 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.87 73.67 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.028 -1.069 . . . . 0.0 108.788 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -77.89 -40.3 40.39 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.359 -0.838 . . . . 0.0 109.845 179.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.69 78.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.528 -0.733 . . . . 0.0 110.392 -179.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.9 -37.1 83.74 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.528 -179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.8 t -70.11 -46.75 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.955 -1.091 . . . . 0.0 109.349 179.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -99.92 120.89 40.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.559 -0.713 . . . . 0.0 109.848 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -110.85 -33.96 2.3 Favored Glycine 0 N--CA 1.497 2.705 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 50.2 mtm-85 -87.96 134.7 33.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.895 -1.356 . . . . 0.0 109.502 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -174.81 -23.49 0.02 OUTLIER Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.836 -1.306 . . . . 0.0 109.836 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -81.53 136.81 35.61 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.277 -1.131 . . . . 0.0 110.356 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 50.9 m -73.88 129.33 37.67 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.891 . . . . 0.0 108.771 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 172' ' ' ARG . 22.9 ttt-85 -79.63 -13.44 59.5 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.03 -1.044 . . . . 0.0 109.589 -179.463 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' A' ' 174' ' ' ASN . 65.6 ttt180 -90.34 -79.8 0.34 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.092 -1.005 . . . . 0.0 109.286 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 173' ' ' ARG . 95.8 m-20 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 120.895 -1.128 . . . . 0.0 109.394 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.3 mtt . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.94 140.04 18.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.801 -1.187 . . . . 0.0 109.742 -179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -149.98 -90.9 0.07 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.193 -0.942 . . . . 0.0 109.61 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.86 60.09 0.37 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.036 -1.04 . . . . 0.0 108.652 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -69.92 150.08 66.77 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.116 1.877 . . . . 0.0 110.912 -179.564 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.9 m -60.27 140.11 57.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.192 -0.943 . . . . 0.0 109.423 -179.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.0 mt -97.07 176.37 5.97 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.202 -0.936 . . . . 0.0 110.497 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 98.9 mt-10 -127.04 -97.15 0.41 Allowed 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.603 -0.685 . . . . 0.0 112.331 -178.072 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.576 ' O ' ' ND1' ' A' ' 85' ' ' HIS . . . -59.72 138.13 57.85 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.467 -0.771 . . . . 0.0 111.178 -177.557 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.576 ' ND1' ' O ' ' A' ' 84' ' ' ALA . 77.0 m-70 -154.33 78.11 1.08 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.678 -0.639 . . . . 0.0 110.804 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -64.33 -40.04 95.1 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.561 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 87' ' ' TYR . 0.6 OUTLIER -107.32 -89.66 0.45 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.374 -0.828 . . . . 0.0 109.297 179.689 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -172.23 79.05 0.05 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.015 -1.053 . . . . 0.0 109.069 179.594 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -67.06 -26.87 66.96 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.13 -41.37 88.11 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.619 -0.676 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.93 99.52 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.814 -1.179 . . . . 0.0 108.213 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.03 -47.31 86.36 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -67.21 -31.51 71.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.493 -0.754 . . . . 0.0 109.839 179.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.3 p -59.94 -39.99 87.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.91 -1.118 . . . . 0.0 108.593 -179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -60.05 -42.05 93.63 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 9.2 t-105 -61.01 -52.65 64.1 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.674 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 51.1 t0 -59.83 -38.9 83.34 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.315 -0.865 . . . . 0.0 109.569 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -86.04 -1.94 57.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.116 -0.99 . . . . 0.0 109.42 -179.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.91 153.03 44.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.01 . . . . 0.0 109.185 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.6 m -73.65 165.9 24.26 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.863 -1.148 . . . . 0.0 109.915 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 19.6 p-10 -59.94 -40.09 87.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.735 -0.603 . . . . 0.0 110.11 -179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -62.69 -41.02 98.89 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.156 -0.965 . . . . 0.0 109.382 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.18 -43.01 99.56 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.947 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 104' ' ' ARG . 53.4 mtm-85 -68.6 -39.81 80.72 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.071 -1.018 . . . . 0.0 108.265 178.857 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -60.0 -41.22 91.65 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.407 -0.808 . . . . 0.0 109.106 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.03 -50.02 75.38 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.094 -1.004 . . . . 0.0 109.838 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.505 -0.747 . . . . 0.0 109.403 -179.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -59.97 -39.8 86.9 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.414 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.43 -39.59 92.27 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.541 -0.724 . . . . 0.0 111.611 -179.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -88.54 -3.3 58.84 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.107 -0.996 . . . . 0.0 112.825 -177.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.549 ' N ' ' CD ' ' A' ' 112' ' ' PRO . 5.7 tp -75.99 -38.26 2.41 Favored Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 120.065 -1.647 . . . . 0.0 111.841 -177.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 111' ' ' LEU . 17.5 Cg_exo -65.45 -31.67 51.08 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.919 1.746 . . . . 0.0 111.897 -179.406 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.0 -40.07 65.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.048 -1.033 . . . . 0.0 110.361 -179.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 40.9 t -68.91 -46.47 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.739 -1.226 . . . . 0.0 108.974 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.5 -40.01 92.53 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.918 -1.114 . . . . 0.0 109.101 179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.63 99.22 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.375 -0.828 . . . . 0.0 109.496 179.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.35 95.58 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.524 -0.735 . . . . 0.0 109.818 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 118' ' ' ASP . 37.4 t0 -60.0 -40.59 89.74 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.467 -0.771 . . . . 0.0 109.642 -179.402 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -60.62 -41.68 95.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.322 -0.861 . . . . 0.0 110.265 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.2 mmt -63.77 -40.04 95.73 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 -179.707 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.49 -39.89 92.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.256 -0.903 . . . . 0.0 110.701 -179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -60.09 -40.1 88.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.816 -1.178 . . . . 0.0 109.962 -178.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -70.96 0.02 8.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 70.72 32.97 66.79 Favored Glycine 0 N--CA 1.5 2.902 0 O-C-N 121.211 -0.931 . . . . 0.0 111.575 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.63 146.99 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.085 -1.244 . . . . 0.0 109.64 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.7 t -55.3 137.97 46.44 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.029 -1.045 . . . . 0.0 109.653 -179.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 p -59.98 -43.63 94.99 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.567 -0.708 . . . . 0.0 110.648 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -59.91 -46.41 89.45 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 118.931 -1.108 . . . . 0.0 108.946 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 87.3 m -69.93 -40.27 75.63 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.338 -0.851 . . . . 0.0 109.617 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -50.01 74.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.392 -0.818 . . . . 0.0 110.447 -179.139 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -68.15 -39.96 82.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.042 -1.037 . . . . 0.0 109.671 -179.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.98 96.09 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.139 -0.976 . . . . 0.0 108.979 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 97.3 m -60.99 -49.47 77.31 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.91 . . . . 0.0 109.792 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.89 -48.5 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -60.03 -34.04 72.83 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.636 -0.665 . . . . 0.0 109.44 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.34 -51.14 18.44 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.26 -42.51 79.53 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.284 -1.127 . . . . 0.0 109.762 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.489 ' O ' ' O ' ' A' ' 135' ' ' ALA . 77.7 m-85 -94.5 141.77 28.2 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.896 -1.128 . . . . 0.0 109.173 179.663 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -80.01 59.24 3.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.854 -1.154 . . . . 0.0 109.689 -179.017 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 34.8 m -129.57 157.81 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.451 -0.781 . . . . 0.0 109.132 179.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 p -76.33 136.07 39.56 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.561 -0.712 . . . . 0.0 109.503 -179.248 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.21 88.34 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.3 -0.875 . . . . 0.0 111.256 -179.119 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 t -65.68 -40.05 91.96 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.096 -1.003 . . . . 0.0 111.354 -178.303 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 91.0 m -63.66 -50.35 69.61 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.904 -1.122 . . . . 0.0 111.081 -178.336 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.93 -44.93 94.06 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.384 -0.823 . . . . 0.0 109.887 -178.731 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -59.92 -44.05 94.55 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.145 -0.972 . . . . 0.0 110.475 -178.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.71 -40.54 92.68 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.96 -1.087 . . . . 0.0 109.554 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -68.24 -38.92 82.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.695 -0.628 . . . . 0.0 111.071 -179.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -58.45 -43.98 89.04 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.218 -0.926 . . . . 0.0 110.404 -177.353 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -70.02 -38.94 76.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.78 -1.2 . . . . 0.0 109.824 179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.16 -39.81 87.71 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.246 -0.909 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.65 -11.33 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.819 -1.175 . . . . 0.0 109.817 -179.168 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -58.15 -38.62 76.93 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.321 -0.862 . . . . 0.0 109.627 -179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.48 -5.89 53.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 110.33 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -110.81 150.34 29.27 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 179.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.428 ' O ' ' CD1' ' A' ' 160' ' ' TRP . . . -68.13 152.98 44.67 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.48 -0.762 . . . . 0.0 109.839 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 0.1 OUTLIER -51.37 -49.9 79.41 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 120.991 -1.068 . . . . 0.0 111.544 -179.559 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 19.3 Cg_endo -60.95 -24.94 80.56 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 CA-C-N 120.753 1.305 . . . . 0.0 112.957 -179.368 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -86.13 -6.74 58.95 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.955 -1.091 . . . . 0.0 110.205 -179.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.428 ' CD1' ' O ' ' A' ' 156' ' ' ALA . 33.1 m0 -58.87 -40.01 83.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.357 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.9 82.96 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.067 -1.021 . . . . 0.0 109.587 -179.133 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.28 -34.36 65.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.192 -0.942 . . . . 0.0 109.981 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.13 74.75 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.204 -0.935 . . . . 0.0 109.622 -179.785 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 166' ' ' ASP . 96.3 mt -70.11 -18.65 63.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.158 -0.963 . . . . 0.0 110.422 -179.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.51 54.33 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.912 -1.118 . . . . 0.0 108.868 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 164' ' ' LEU . 94.4 m-20 -85.68 139.99 30.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.21 -0.931 . . . . 0.0 109.375 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -126.8 -160.94 10.73 Favored Glycine 0 N--CA 1.5 2.9 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -80.09 131.33 35.73 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.101 -1.235 . . . . 0.0 108.888 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -169.87 -104.77 0.18 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -78.66 131.82 36.81 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -1.183 . . . . 0.0 110.068 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 10.3 m -83.65 167.55 17.14 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.236 -0.915 . . . . 0.0 109.701 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -61.26 140.95 57.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 109.388 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -90.28 -0.98 57.87 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.371 -0.83 . . . . 0.0 109.09 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 29.4 m120 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 117.925 -1.036 . . . . 0.0 109.3 179.337 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.6 tt -60.03 -30.17 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 120.83 -1.169 . . . . 0.0 110.793 -179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.34 104.27 8.82 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.642 -1.287 . . . . 0.0 109.843 -179.367 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.52 HH11 ' HG2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -51.67 -39.98 65.8 Favored Pre-proline 0 N--CA 1.499 2.001 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.515 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -69.92 150.21 66.92 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 CA-C-N 120.897 1.356 . . . . 0.0 113.61 -179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.7 m -69.93 149.95 47.26 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.557 0.694 . . . . 0.0 110.184 178.606 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.0 mt -84.35 115.01 22.28 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -150.24 -40.24 0.13 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 109.686 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -92.99 101.17 13.5 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.745 -0.597 . . . . 0.0 110.178 -179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -177.5 106.8 0.06 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.259 -0.901 . . . . 0.0 109.415 178.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.44 -17.61 63.0 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 87' ' ' TYR . 3.6 p90 -111.83 126.16 54.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.67 110.72 7.23 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.833 -1.167 . . . . 0.0 110.168 -177.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 89' ' ' ARG . 40.2 mtm-85 -79.28 -3.92 48.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.668 -0.645 . . . . 0.0 109.761 179.623 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -56.42 -40.28 74.44 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.255 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.75 96.89 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.1 tp -61.83 -49.47 76.18 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -67.96 -23.58 65.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.412 -0.805 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 t -59.74 -45.97 90.56 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.905 -1.122 . . . . 0.0 110.048 -178.564 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -39.31 93.85 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.47 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' CD1' ' C ' ' A' ' 96' ' ' TRP . 8.6 t-105 -60.01 -48.47 81.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.514 -0.741 . . . . 0.0 109.399 179.25 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -59.75 -40.2 87.34 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -87.12 -2.07 58.36 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.743 . . . . 0.0 109.539 -179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.67 155.15 39.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.891 . . . . 0.0 108.799 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.6 t -70.06 155.12 41.05 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.566 -179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.7 -39.89 90.17 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.373 -0.829 . . . . 0.0 110.0 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 t -61.03 -39.86 91.37 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.369 -0.832 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.79 -40.65 97.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.094 -1.004 . . . . 0.0 110.446 -179.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -66.3 -39.95 89.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.0 109.222 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -61.29 -39.93 92.25 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.581 -0.7 . . . . 0.0 109.588 179.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.99 -46.55 89.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.245 -0.909 . . . . 0.0 108.684 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.0 -38.09 84.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.175 -0.953 . . . . 0.0 109.073 179.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.95 -40.89 90.55 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.289 -0.882 . . . . 0.0 110.36 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -66.18 -39.99 90.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.502 -0.749 . . . . 0.0 110.605 -178.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.443 ' O ' HG23 ' A' ' 114' ' ' VAL . 64.8 m95 -81.44 -10.09 59.58 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.191 -0.943 . . . . 0.0 111.372 -178.444 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 61.2 tp -73.7 -46.95 7.12 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.369 -1.457 . . . . 0.0 111.807 -178.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 111' ' ' LEU . 56.0 Cg_endo -67.19 -25.42 43.24 Favored 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 121.725 1.616 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.27 62.32 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.069 . . . . 0.0 109.131 -179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 110' ' ' TRP . 61.5 t -68.3 -40.28 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.199 -0.938 . . . . 0.0 109.102 179.61 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.0 -40.24 90.97 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.996 -1.065 . . . . 0.0 109.964 -179.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.42 -40.7 89.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.853 -1.155 . . . . 0.0 109.946 -179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.32 90.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.398 -0.814 . . . . 0.0 109.39 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 118' ' ' ASP . 46.3 t0 -59.2 -40.97 87.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.78 179.518 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.29 -44.39 95.41 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 119.326 -0.95 . . . . 0.0 108.818 179.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.5 mmt -65.02 -40.0 94.24 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.616 -0.678 . . . . 0.0 110.895 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.69 -39.69 92.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.927 . . . . 0.0 109.902 -179.279 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.59 -37.96 83.1 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.28 -0.888 . . . . 0.0 109.797 -179.285 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -68.5 -3.69 12.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.626 -0.671 . . . . 0.0 109.408 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 73.24 30.73 62.34 Favored Glycine 0 N--CA 1.499 2.86 0 C-N-CA 120.267 -0.968 . . . . 0.0 111.111 178.321 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.51 147.17 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.322 -1.105 . . . . 0.0 108.703 178.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.3 t -58.36 139.45 55.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.206 -0.934 . . . . 0.0 109.291 -178.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.0 p -56.51 -45.21 81.2 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.382 -0.824 . . . . 0.0 110.112 -179.15 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.91 -46.34 89.67 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.989 -1.069 . . . . 0.0 108.649 -179.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 89.4 m -67.27 -45.31 77.01 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.148 -0.97 . . . . 0.0 109.058 179.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.92 -50.01 75.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.433 -0.792 . . . . 0.0 110.757 -179.233 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -68.71 -39.81 80.28 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.188 -0.945 . . . . 0.0 109.842 -179.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.07 -43.3 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.165 -0.96 . . . . 0.0 109.757 -179.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 91.9 m -63.6 -46.45 85.72 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.192 -0.943 . . . . 0.0 109.143 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.52 -42.8 95.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.316 -0.865 . . . . 0.0 108.671 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.477 ' O ' ' O ' ' A' ' 138' ' ' TYR . . . -64.39 -29.41 70.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 0.0 109.062 178.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.61 -53.45 9.92 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 108.64 -1.784 . . . . 0.0 108.64 179.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -67.84 -40.95 83.64 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' ' O ' ' A' ' 135' ' ' ALA . 85.7 m-85 -99.5 133.57 43.63 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.927 -1.108 . . . . 0.0 109.367 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -81.1 61.25 4.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 108.835 179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.3 m -130.18 159.64 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.217 -0.927 . . . . 0.0 109.83 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -73.25 129.48 38.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.62 -0.675 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.99 85.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.017 -1.052 . . . . 0.0 109.114 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.3 m -63.41 -40.17 96.47 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 110.991 -178.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.4 m -64.76 -50.69 65.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.253 -0.905 . . . . 0.0 109.926 -179.303 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -60.22 -40.18 89.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.418 -0.801 . . . . 0.0 110.543 -179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -60.51 -48.71 80.55 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 110.199 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 147' ' ' ASP . 50.3 t0 -60.64 -45.72 93.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.206 -0.934 . . . . 0.0 110.271 -179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.414 -0.804 . . . . 0.0 109.792 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.9 -43.92 94.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.119 -0.988 . . . . 0.0 110.033 -178.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -69.78 -36.88 76.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.646 -1.284 . . . . 0.0 108.631 179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.43 -40.35 90.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.974 . . . . 0.0 110.781 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.3 m -81.02 -15.02 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 110.009 -179.038 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.07 -39.17 81.3 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.477 -0.764 . . . . 0.0 110.288 -179.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -77.35 -9.53 58.9 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.943 -178.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -111.88 144.47 41.14 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.411 -0.805 . . . . 0.0 110.848 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 159' ' ' ASP . . . -59.87 144.87 47.63 Favored 'General case' 0 N--CA 1.499 1.995 0 CA-C-O 121.906 0.86 . . . . 0.0 111.12 -179.324 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.535 ' N ' ' HD2' ' A' ' 158' ' ' PRO . 33.3 mttp -52.09 -50.09 80.76 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.472 -0.768 . . . . 0.0 112.598 -179.672 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 157' ' ' LYS . 9.6 Cg_endo -51.88 -30.48 38.99 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.407 1.405 . . . . 0.0 112.825 -179.453 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 156' ' ' ALA . 4.5 p30 -89.35 -1.07 57.92 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.228 -0.92 . . . . 0.0 109.699 -179.385 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' TRP . . . . . 0.412 ' CD1' ' HA ' ' A' ' 157' ' ' LYS . 28.5 m0 -58.79 -39.75 82.01 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.106 -0.996 . . . . 0.0 109.613 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.66 92.89 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.837 -1.164 . . . . 0.0 108.002 179.216 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.586 ' O ' HG12 ' A' ' 165' ' ' VAL . . . -70.09 -39.4 75.59 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.654 -0.654 . . . . 0.0 109.27 179.514 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -60.14 -39.63 87.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.709 . . . . 0.0 110.271 -179.387 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' LEU . . . . . . . . . . . . . 32.2 mt -74.55 -2.36 25.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.028 -1.045 . . . . 0.0 110.702 -178.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 162' ' ' ALA . 3.9 p -69.14 -38.4 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 120.721 -1.237 . . . . 0.0 109.187 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -84.03 160.15 21.05 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.23 -0.919 . . . . 0.0 109.287 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -158.81 109.98 0.42 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -86.67 129.84 34.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.611 -0.935 . . . . 0.0 108.942 179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -83.33 -147.09 7.12 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -74.04 158.67 33.88 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.173 -1.192 . . . . 0.0 109.892 -179.602 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' SER . . . . . . . . . . . . . 12.9 t -61.52 118.88 7.59 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.2 -0.938 . . . . 0.0 109.386 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -66.64 -38.76 87.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.731 -0.605 . . . . 0.0 109.742 179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -88.0 127.7 35.39 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.013 -1.054 . . . . 0.0 109.853 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 26.1 m120 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.408 -179.733 . . . . . . . . 0 0 . 1 stop_ save_