data_2m55_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 2m55 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 49.0 p -108.8 156.88 19.13 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.657 0.742 . . . . 0.0 110.407 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -65.63 -39.45 91.48 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.688 -0.633 . . . . 0.0 110.406 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.69 -39.08 93.43 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 45.7 mt-30 -61.71 -39.39 91.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.844 -1.16 . . . . 0.0 110.043 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.45 -39.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.635 -1.291 . . . . 0.0 109.231 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -34.68 76.75 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.896 -1.128 . . . . 0.0 109.847 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -42.37 98.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.894 -1.129 . . . . 0.0 110.477 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.58 -19.26 29.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.868 -1.145 . . . . 0.0 109.546 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.96 -42.84 97.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.802 -1.186 . . . . 0.0 109.199 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.27 -45.97 91.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.974 -1.079 . . . . 0.0 109.007 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.85 81.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.265 -0.897 . . . . 0.0 109.383 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.12 -45.67 83.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.351 -0.843 . . . . 0.0 111.241 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.8 p -62.11 -22.19 65.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.896 -1.128 . . . . 0.0 111.687 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -42.58 86.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.441 -1.412 . . . . 0.0 110.168 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -69.42 -37.56 77.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.001 -1.062 . . . . 0.0 109.45 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.7 t0 -83.52 82.78 8.15 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.605 -1.309 . . . . 0.0 109.749 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.92 -23.97 67.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.142 -0.974 . . . . 0.0 110.015 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.33 -30.23 71.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 110.457 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 5.58 87.31 Favored Glycine 0 N--CA 1.496 2.692 0 O-C-N 120.311 -1.493 . . . . 0.0 110.179 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -88.66 2.67 52.81 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.342 -1.093 . . . . 0.0 110.027 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 10.35 85.93 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.781 -1.199 . . . . 0.0 110.272 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.2 149.2 48.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.19 -1.183 . . . . 0.0 108.955 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.6 130.43 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -106.87 158.03 17.31 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -56.17 -35.49 67.27 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.109 -0.994 . . . . 0.0 110.064 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.7 tttm -64.71 -42.1 95.52 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.299 -0.875 . . . . 0.0 109.725 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.96 -42.9 89.33 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.363 -0.836 . . . . 0.0 111.404 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -51.88 22.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.025 . . . . 0.0 109.9 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -39.55 96.34 Favored Glycine 0 N--CA 1.488 2.146 0 C-N-CA 119.46 -1.352 . . . . 0.0 109.859 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 87.8 m -60.4 -46.53 89.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.994 -1.298 . . . . 0.0 109.396 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.08 -36.11 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.72 -1.237 . . . . 0.0 108.554 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.04 -32.58 72.19 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.927 -1.108 . . . . 0.0 108.87 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -58.74 -35.81 73.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.571 -0.706 . . . . 0.0 109.468 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.624 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.9 m -58.3 -34.19 70.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 109.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.56 16.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.259 -0.901 . . . . 0.0 108.874 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.08 39.8 98.45 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -118.5 161.46 19.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.616 -0.932 . . . . 0.0 110.118 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -141.42 68.75 26.34 Favored Pre-proline 0 C--N 1.297 -1.693 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.4 164.76 32.04 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.859 2.373 . . . . 0.0 112.802 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -107.46 163.52 12.98 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.874 0.845 . . . . 0.0 109.951 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.497 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.55 94.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.982 -1.073 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -44.24 94.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.985 -1.072 . . . . 0.0 110.254 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.36 -32.42 71.47 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.323 -0.861 . . . . 0.0 110.043 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.75 -48.51 80.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.019 -1.051 . . . . 0.0 110.07 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.2 -43.42 95.96 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -0.96 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.34 -52.07 60.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.963 -1.086 . . . . 0.0 110.69 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -38.3 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.908 -1.12 . . . . 0.0 110.362 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -58.9 -37.86 77.57 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -60.49 -37.69 81.91 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.04 -1.038 . . . . 0.0 111.861 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.17 7.59 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.988 -1.07 . . . . 0.0 111.048 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.71 107.58 14.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.928 -1.108 . . . . 0.0 109.372 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.93 -25.54 16.5 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.286 -0.884 . . . . 0.0 110.996 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 35.1 p30 -90.87 -5.84 55.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.62 26.93 67.33 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.9 p-10 -94.0 0.2 55.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.213 -1.169 . . . . 0.0 109.834 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.28 17.64 77.63 Favored Glycine 0 N--CA 1.495 2.571 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.766 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -141.23 160.75 39.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.113 -1.228 . . . . 0.0 107.976 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -101.58 121.07 52.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.443 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 60.7 m-20 -91.83 155.85 17.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.333 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -44.99 -51.58 22.52 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.554 -0.717 . . . . 0.0 112.142 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.85 -32.93 85.65 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.204 1.466 . . . . 0.0 111.628 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.26 -43.11 95.86 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.05 -43.3 99.1 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.54 -39.45 84.02 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.771 0.796 . . . . 0.0 109.567 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.5 m -62.25 -42.8 99.65 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.2 ttp -62.82 -39.59 94.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 0.0 109.69 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.17 -43.35 95.89 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.777 -1.202 . . . . 0.0 110.232 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.96 44.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.872 -1.143 . . . . 0.0 108.715 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -54.46 -20.83 8.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.568 -0.707 . . . . 0.0 109.636 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.55 -42.27 82.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.573 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -61.04 -39.74 90.95 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.17 -16.9 60.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.124 -0.985 . . . . 0.0 109.538 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 53.33 45.65 28.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 -57.73 3.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.932 -1.105 . . . . 0.0 109.51 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -85.72 -13.39 48.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.127 -0.983 . . . . 0.0 108.818 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.6 m -49.15 -37.58 22.66 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -41.43 94.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.029 -1.044 . . . . 0.0 109.015 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.33 -42.4 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -67.81 -40.27 83.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.169 -0.957 . . . . 0.0 109.884 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.28 -46.29 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.507 -0.877 . . . . 0.0 108.682 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.55 -39.31 77.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.553 -1.342 . . . . 0.0 110.359 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -68.46 -39.17 81.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.861 -1.149 . . . . 0.0 110.672 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.76 70.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.334 -0.854 . . . . 0.0 110.697 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.4 t80 -58.97 -38.05 78.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 108.761 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -63.47 -37.54 87.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.658 -0.651 . . . . 0.0 109.86 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.22 -41.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.997 -1.065 . . . . 0.0 109.352 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -40.0 82.39 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.09 -1.006 . . . . 0.0 108.856 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -82.45 83.0 7.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.078 -1.013 . . . . 0.0 110.005 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 63.8 tttm -66.3 -39.85 89.6 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.556 -0.715 . . . . 0.0 111.321 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -67.66 -29.12 68.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.971 -1.081 . . . . 0.0 110.824 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.31 11.55 84.12 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 26.9 p-10 -70.6 -8.81 54.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.042 -1.269 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.22 -4.73 82.93 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 68.4 m-85 -133.11 139.96 47.39 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.7 mt -95.51 120.65 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.745 -1.222 . . . . 0.0 109.728 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -91.37 165.88 13.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.217 -0.927 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.53 97.44 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.689 -0.632 . . . . 0.0 112.057 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.7 88.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.517 -1.364 . . . . 0.0 109.678 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -62.7 -41.51 99.16 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.582 -0.699 . . . . 0.0 111.968 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.14 -36.38 83.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -66.72 -34.27 77.47 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.724 -1.235 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CE1' HD22 ' A' ' 111' ' ' ASN . 23.1 t60 -58.27 -57.45 12.81 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.204 -0.935 . . . . 0.0 113.029 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.16 -39.37 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.978 -1.076 . . . . 0.0 108.742 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.75 -38.61 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.925 -1.11 . . . . 0.0 110.331 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -66.73 -40.58 88.41 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.253 -0.905 . . . . 0.0 110.937 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.503 HD22 ' CE1' ' A' ' 107' ' ' HIS . 95.4 m-20 -62.51 -21.42 65.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.32 12.45 34.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.0 109.641 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.76 20.86 79.91 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.53 143.49 40.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.585 -0.95 . . . . 0.0 109.589 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -160.56 134.09 6.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.829 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.99 -170.65 1.91 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 p -98.25 160.59 14.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.047 -1.033 . . . . 0.0 109.114 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.42 -40.48 86.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 110.112 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.46 -41.6 94.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 108.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -63.28 -44.24 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 109.863 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.02 -37.57 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.49 -47.18 85.09 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.105 -0.997 . . . . 0.0 109.978 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 110.301 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.0 ttt -59.59 -43.1 93.77 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 109.445 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.13 -40.57 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.924 . . . . 0.0 108.646 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.31 -46.23 90.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 110.378 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -66.26 -42.33 88.66 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.924 -1.11 . . . . 0.0 111.475 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.83 -16.38 59.45 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.963 -1.085 . . . . 0.0 110.538 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -70.42 93.49 0.88 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.959 -1.088 . . . . 0.0 109.595 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.19 -46.42 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.632 -0.667 . . . . 0.0 111.475 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.3 p-10 -75.05 -25.8 58.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.149 -0.969 . . . . 0.0 108.69 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.81 19.87 62.54 Favored Glycine 0 N--CA 1.479 1.547 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 57.0 p-10 -77.09 -9.3 58.64 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.331 -1.099 . . . . 0.0 109.84 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.47 -11.2 68.84 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.1 mp0 -131.26 160.67 34.22 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.346 -1.09 . . . . 0.0 108.381 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.29 124.9 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.597 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 178.45 4.48 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.939 0.876 . . . . 0.0 110.307 -178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.5 m-85 -59.66 -38.58 81.83 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.38 -50.25 74.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.51 -41.06 85.05 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.136 -0.978 . . . . 0.0 109.265 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.727 -0.608 . . . . 0.0 110.604 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.52 -43.09 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.038 -1.664 . . . . 0.0 108.29 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -64.45 -37.99 89.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.474 -0.766 . . . . 0.0 110.549 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.03 -1.044 . . . . 0.0 109.963 -179.351 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -108.09 156.62 19.07 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.605 0.717 . . . . 0.0 110.621 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -65.87 -40.38 91.57 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.614 -0.679 . . . . 0.0 110.2 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -63.0 -38.54 91.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.156 -0.965 . . . . 0.0 110.185 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -60.47 -40.36 90.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 0.0 109.683 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.27 -39.09 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.863 -1.148 . . . . 0.0 109.744 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.5 74.92 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.824 -1.172 . . . . 0.0 109.821 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.09 -42.18 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.794 -1.191 . . . . 0.0 110.248 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -86.82 -17.94 32.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.954 -1.091 . . . . 0.0 109.642 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.19 -43.36 95.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.483 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.81 -43.06 98.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.223 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.05 79.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.883 . . . . 0.0 109.299 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.89 -44.83 82.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.334 -0.854 . . . . 0.0 111.318 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.09 -37.42 82.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.025 -1.047 . . . . 0.0 111.66 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -42.02 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.685 -1.259 . . . . 0.0 110.748 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -69.96 -36.96 75.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.83 -1.169 . . . . 0.0 109.561 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 26' ' ' THR . 60.8 t0 -83.69 82.94 8.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.694 -1.254 . . . . 0.0 109.278 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.28 -24.48 67.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.172 -0.955 . . . . 0.0 110.109 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.43 -30.41 71.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.48 5.53 89.23 Favored Glycine 0 N--CA 1.496 2.663 0 O-C-N 120.282 -1.511 . . . . 0.0 109.942 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 58.4 p30 -88.92 4.29 48.47 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.372 -1.075 . . . . 0.0 110.01 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.38 84.63 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.7 p -136.89 150.13 48.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -1.163 . . . . 0.0 109.244 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -103.89 131.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.6 p -111.29 159.92 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.244 0.545 . . . . 0.0 109.727 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.15 -33.23 62.76 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.345 -0.847 . . . . 0.0 110.502 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 34' ' ' THR . 98.0 mttt -70.52 -39.17 74.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 110.124 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.07 -42.11 85.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.027 -1.045 . . . . 0.0 111.056 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -56.44 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 0.0 110.659 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.76 -40.44 98.13 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.097 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 94.9 m -60.03 -46.58 89.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.975 -1.309 . . . . 0.0 109.418 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.56 -38.96 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.823 -1.173 . . . . 0.0 109.202 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.91 -28.82 69.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.764 -1.21 . . . . 0.0 108.84 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.08 -35.51 75.35 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.436 -0.79 . . . . 0.0 109.455 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -57.43 -35.0 69.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 0.0 108.802 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.54 20.68 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.275 -0.891 . . . . 0.0 108.786 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.2 41.8 91.75 Favored Glycine 0 N--CA 1.485 1.954 0 O-C-N 121.304 -0.872 . . . . 0.0 111.104 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -113.8 151.88 31.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.41 -1.053 . . . . 0.0 109.488 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -142.04 65.81 19.74 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.84 165.05 27.08 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.985 2.456 . . . . 0.0 112.406 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -104.08 163.83 12.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.631 0.729 . . . . 0.0 109.471 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.08 -41.94 97.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.371 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.27 93.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.004 -1.06 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.97 -43.99 94.09 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.024 -1.047 . . . . 0.0 110.402 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.19 -24.41 63.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.148 -0.97 . . . . 0.0 109.872 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -59.52 -47.7 84.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.955 -1.091 . . . . 0.0 109.389 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.39 -39.95 92.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.217 -0.927 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 ttt -60.03 -53.71 54.64 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.201 -0.937 . . . . 0.0 110.65 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.83 -36.16 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.146 -0.971 . . . . 0.0 110.584 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -58.08 -36.75 73.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.54 -0.725 . . . . 0.0 110.672 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.04 -17.26 16.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.039 -1.038 . . . . 0.0 110.888 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.17 24.58 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 121.113 -0.992 . . . . 0.0 111.965 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.46 100.12 12.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.395 -1.441 . . . . 0.0 108.936 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.57 -17.27 22.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.184 -0.947 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -90.28 -14.66 32.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.054 -1.029 . . . . 0.0 108.483 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.03 18.99 69.52 Favored Glycine 0 N--CA 1.483 1.78 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.12 2.05 55.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.584 -0.951 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.79 74.92 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.1 p -142.3 160.5 40.12 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.225 -1.162 . . . . 0.0 108.203 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.86 120.09 48.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.228 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -89.07 154.05 20.49 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.399 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -44.73 -54.18 13.5 Favored Pre-proline 0 C--N 1.3 -1.584 0 O-C-N 121.083 -1.011 . . . . 0.0 112.137 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.69 -32.93 97.9 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 CA-C-N 120.923 1.365 . . . . 0.0 111.509 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -64.22 -42.95 96.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.628 -1.295 . . . . 0.0 107.649 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.67 -44.72 96.41 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.467 0.651 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.97 -39.9 79.29 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.695 0.76 . . . . 0.0 109.993 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.1 m -63.81 -43.34 96.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.8 -0.563 . . . . 0.0 109.8 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 ttp -64.14 -40.23 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.573 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.92 -42.14 93.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.005 -1.06 . . . . 0.0 110.356 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.87 -24.12 48.62 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.962 -1.086 . . . . 0.0 109.049 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.29 -18.61 11.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.81 . . . . 0.0 109.907 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.51 -43.19 84.07 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.36 90.25 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -69.51 -22.75 63.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.04 -1.037 . . . . 0.0 109.228 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 53.94 46.35 25.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.394 -0.816 . . . . 0.0 110.303 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -63.43 1.34 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.04 -1.038 . . . . 0.0 109.495 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 97.8 m-20 -88.15 -12.22 44.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.045 -1.034 . . . . 0.0 108.672 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -48.21 -33.94 9.35 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.147 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.12 -41.94 98.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.899 -1.125 . . . . 0.0 108.479 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.03 -45.57 84.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.537 -0.727 . . . . 0.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 6.5 mp0 -67.44 -36.95 82.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.351 -0.843 . . . . 0.0 110.473 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.45 -44.21 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.259 -0.901 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.64 -38.25 83.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.664 -1.272 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.64 -38.3 90.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 0.0 109.85 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -29.77 34.74 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.162 -0.961 . . . . 0.0 109.265 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.7 t80 -57.85 -38.93 76.55 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.33 -40.7 98.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.548 -0.72 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -74.49 -41.42 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.093 -1.004 . . . . 0.0 109.256 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.57 -40.11 73.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.164 -0.96 . . . . 0.0 109.287 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -79.94 81.52 6.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.462 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.544 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -66.6 -42.57 86.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.703 . . . . 0.0 111.315 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -68.17 -27.03 66.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.984 -1.072 . . . . 0.0 110.822 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.01 14.05 80.56 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.015 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.543 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 37.0 p-10 -69.65 -7.28 37.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.945 -1.327 . . . . 0.0 108.863 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.99 82.89 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 64.2 m-85 -133.24 142.21 48.43 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.17 120.88 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.44 -1.413 . . . . 0.0 109.598 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -94.08 165.88 12.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.27 97.1 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.702 -0.623 . . . . 0.0 111.934 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.08 89.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.521 -1.362 . . . . 0.0 109.652 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.5 tt0 -63.13 -42.08 99.44 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.585 -0.697 . . . . 0.0 111.965 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.82 -35.5 80.12 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 110.937 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.28 -37.95 84.26 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -56.17 -56.52 19.87 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.205 -0.934 . . . . 0.0 112.717 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.61 -40.28 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.079 -1.013 . . . . 0.0 108.557 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 93.5 mtp -63.17 -38.96 93.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.843 -1.161 . . . . 0.0 109.832 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -66.96 -40.38 87.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.453 -0.779 . . . . 0.0 110.359 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -62.72 -22.55 66.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.203 -0.936 . . . . 0.0 110.548 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.3 mt -97.88 13.58 30.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -0.942 . . . . 0.0 109.928 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.51 18.55 79.95 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -109.19 142.24 40.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.599 -0.942 . . . . 0.0 109.41 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -157.8 131.58 7.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.887 . . . . 0.0 109.603 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.38 -171.07 2.01 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -99.04 161.74 13.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.081 -1.012 . . . . 0.0 109.093 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.11 -41.15 87.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -0.999 . . . . 0.0 109.984 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.41 -42.01 95.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.368 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.73 -43.46 98.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.538 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.22 -34.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.8 -43.83 94.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.106 -0.996 . . . . 0.0 109.518 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.45 -38.04 89.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.13 -0.982 . . . . 0.0 110.199 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.0 mtt -54.77 -42.16 71.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.118 -0.989 . . . . 0.0 109.625 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.88 -42.05 93.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -59.58 -46.92 87.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.868 -1.145 . . . . 0.0 110.637 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 111.622 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -0.77 57.71 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.81 -1.181 . . . . 0.0 111.204 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.03 84.31 6.51 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.697 -1.252 . . . . 0.0 110.05 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -45.73 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 111.163 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.0 p30 -76.19 -25.89 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.002 -1.061 . . . . 0.0 109.145 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.571 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.0 21.23 65.99 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 57.1 p-10 -78.88 -7.64 58.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 110.075 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.25 -11.3 68.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.6 mp0 -130.92 161.85 30.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.212 -1.17 . . . . 0.0 108.42 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.31 125.18 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.603 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.88 -178.65 3.64 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.898 0.856 . . . . 0.0 110.9 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.9 m-85 -59.43 -39.82 84.73 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.39 -50.28 74.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.412 -0.805 . . . . 0.0 109.835 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 75.7 mt-10 -67.72 -42.36 82.05 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.554 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.44 -47.56 83.5 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.756 -0.59 . . . . 0.0 111.006 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.94 -43.36 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 119.97 -1.706 . . . . 0.0 108.575 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.12 -36.92 85.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 110.762 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 110.219 -178.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -109.17 155.86 20.54 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.697 0.761 . . . . 0.0 110.874 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.13 -38.26 85.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.795 -0.566 . . . . 0.0 109.763 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.65 -41.6 99.14 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.16 -0.962 . . . . 0.0 110.5 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.84 -39.85 94.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.072 -1.018 . . . . 0.0 110.543 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.98 -39.91 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.443 -1.411 . . . . 0.0 109.376 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.26 75.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.878 -1.139 . . . . 0.0 109.867 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.89 -41.55 96.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 110.232 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -85.67 -19.15 31.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.927 -1.108 . . . . 0.0 109.202 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.65 -41.84 95.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.838 -1.164 . . . . 0.0 109.236 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.97 -43.14 99.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.916 -1.115 . . . . 0.0 109.092 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.15 80.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.195 -0.941 . . . . 0.0 109.167 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.28 -44.92 84.45 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.736 . . . . 0.0 111.378 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -60.93 -37.17 81.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.039 -1.038 . . . . 0.0 112.005 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -42.98 69.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.296 . . . . 0.0 110.656 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -67.25 -37.85 84.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.787 -1.195 . . . . 0.0 109.165 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 26' ' ' THR . 33.2 t70 -85.73 86.22 7.37 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.469 -1.394 . . . . 0.0 110.009 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.03 -38.28 88.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.483 -0.761 . . . . 0.0 111.369 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.2 p30 -64.33 -24.01 67.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.711 -1.243 . . . . 0.0 110.427 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.74 18.37 78.74 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD2' ' OD2' ' A' ' 22' ' ' ASP . 58.5 p-10 -80.94 -0.56 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.122 -1.223 . . . . 0.0 109.474 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.75 90.22 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.4 p -134.9 146.31 49.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.041 . . . . 0.0 108.444 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.6 mt -99.27 132.25 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 109.347 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -109.34 158.66 17.69 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.379 0.609 . . . . 0.0 110.485 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 p -57.76 -35.53 70.88 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.404 -0.81 . . . . 0.0 110.685 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' O ' ' OG1' ' A' ' 34' ' ' THR . 97.8 mttt -67.16 -39.61 86.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.036 -1.04 . . . . 0.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 98.1 mt-10 -66.23 -40.97 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.367 -0.833 . . . . 0.0 111.003 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.63 -53.35 16.2 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.267 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.61 99.18 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.542 -1.313 . . . . 0.0 109.891 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 89.2 m -59.98 -46.61 88.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -1.226 . . . . 0.0 109.131 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.6 -38.03 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.784 -1.197 . . . . 0.0 108.974 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.6 ttp -66.27 -29.33 69.54 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.753 -1.217 . . . . 0.0 108.651 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.12 -37.99 81.7 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.807 . . . . 0.0 109.625 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.9 m -57.66 -32.41 67.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.189 -0.945 . . . . 0.0 108.851 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.45 19.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.81 38.39 95.51 Favored Glycine 0 N--CA 1.485 1.935 0 O-C-N 121.05 -1.032 . . . . 0.0 111.002 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -111.16 154.87 23.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.467 -1.02 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -138.51 69.74 45.84 Favored Pre-proline 0 C--N 1.296 -1.734 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.95 163.41 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.899 2.4 . . . . 0.0 113.084 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -106.8 164.04 12.44 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.748 0.785 . . . . 0.0 109.151 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.83 95.17 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.345 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.8 95.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.915 -1.116 . . . . 0.0 110.346 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.08 -45.83 86.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.982 -1.074 . . . . 0.0 110.308 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.36 -34.29 76.99 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.378 -0.826 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -58.55 -47.7 83.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.004 . . . . 0.0 109.328 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.55 -39.54 93.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 110.355 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.4 mtt -59.0 -51.22 71.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.852 -1.155 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.51 -35.98 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.071 -1.018 . . . . 0.0 111.006 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -55.91 -32.99 64.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.817 . . . . 0.0 110.313 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -62.37 -20.07 64.04 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 111.805 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 p -133.68 28.83 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 O-C-N 120.939 -1.101 . . . . 0.0 111.557 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -92.14 103.07 15.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.797 -1.189 . . . . 0.0 108.671 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 -27.78 15.86 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.028 -1.045 . . . . 0.0 110.577 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p30 -85.65 -13.02 49.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.842 -1.161 . . . . 0.0 109.033 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.72 22.95 72.18 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -93.81 1.52 56.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.378 -1.072 . . . . 0.0 110.078 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 19.32 76.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.438 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.0 p -140.55 162.23 35.85 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.3 mt -103.93 120.91 54.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.94 153.86 19.87 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.4 t80 -45.05 -51.69 22.55 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.312 -0.868 . . . . 0.0 111.871 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.74 -33.08 96.47 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.926 1.367 . . . . 0.0 111.345 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.63 -44.14 91.45 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.602 -1.311 . . . . 0.0 107.659 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -60.95 -43.89 98.07 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.615 0.722 . . . . 0.0 110.077 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.09 -39.8 83.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.693 0.759 . . . . 0.0 109.672 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.65 -43.68 98.4 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ttp -63.21 -40.2 96.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.74 -43.77 94.08 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.912 -1.117 . . . . 0.0 110.504 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.64 -24.2 45.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.96 -1.088 . . . . 0.0 108.793 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.58 -18.25 7.18 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.465 -0.772 . . . . 0.0 109.729 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -57.39 -45.9 84.03 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 3.7 mpp? -64.0 -44.12 93.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.065 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -71.24 -37.78 71.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.077 . . . . 0.0 109.997 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 t0 57.79 56.18 4.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.482 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -67.04 0.85 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.193 -0.942 . . . . 0.0 109.779 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.74 -25.41 21.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 108.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.8 t -49.47 -30.29 7.96 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.66 -45.28 89.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 108.761 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.91 -41.11 95.47 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.529 -0.732 . . . . 0.0 109.859 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.56 -20.15 60.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.044 -1.035 . . . . 0.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -41.67 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 109.027 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.88 -38.45 91.02 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.467 -1.396 . . . . 0.0 110.242 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.92 -36.45 84.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.875 -1.141 . . . . 0.0 109.572 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.58 -31.74 62.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 109.572 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 41.5 t80 -55.28 -37.54 67.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.049 -1.032 . . . . 0.0 108.384 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -62.35 -40.8 97.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.44 -0.787 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -39.62 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -73.64 -42.24 61.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.18 82.94 7.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 109.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -65.93 -42.86 89.55 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.645 -0.66 . . . . 0.0 111.434 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -67.96 -26.68 66.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.909 -1.12 . . . . 0.0 110.877 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.49 15.12 80.55 Favored Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.548 -1.31 . . . . 0.0 109.869 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.536 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 36.1 p-10 -70.33 -8.73 52.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.298 . . . . 0.0 109.069 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.33 -7.22 81.84 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 76.0 m-85 -132.38 137.51 47.37 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.8 mt -91.18 122.24 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.301 -1.499 . . . . 0.0 109.789 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p -94.55 166.13 12.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.206 -0.934 . . . . 0.0 110.531 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.75 97.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.743 -0.598 . . . . 0.0 111.693 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.54 91.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.54 -1.35 . . . . 0.0 109.583 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.7 tt0 -63.04 -41.61 99.55 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.544 -0.723 . . . . 0.0 111.608 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.84 -37.85 89.02 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.981 -1.074 . . . . 0.0 111.307 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.23 -37.42 87.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.835 -1.166 . . . . 0.0 110.725 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.63 -56.59 19.98 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.33 -0.856 . . . . 0.0 112.543 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.99 -39.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.241 -0.912 . . . . 0.0 109.022 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.6 mtp -62.44 -38.17 88.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.972 -1.08 . . . . 0.0 110.446 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.0 m -64.8 -40.51 95.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.247 -0.908 . . . . 0.0 110.46 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.58 -23.21 67.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 110.638 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.8 mt -94.87 9.7 38.18 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.154 -0.966 . . . . 0.0 109.773 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.92 18.5 80.16 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.27 143.17 40.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.605 -0.938 . . . . 0.0 109.47 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -157.76 130.99 7.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.0 109.684 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.39 -170.28 1.78 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.2 p -100.67 161.46 13.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.086 -1.009 . . . . 0.0 109.16 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.99 -40.71 85.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.189 -0.944 . . . . 0.0 110.087 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.18 -41.85 93.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 108.989 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.27 -37.7 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.09 -47.35 86.7 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.058 -1.026 . . . . 0.0 109.867 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.69 -38.4 89.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ttt -59.02 -43.67 91.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.969 -1.082 . . . . 0.0 109.165 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.64 -39.12 83.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 108.798 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.1 -47.33 86.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.75 -40.19 72.85 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.013 -1.054 . . . . 0.0 112.184 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 -20.81 59.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.867 -1.145 . . . . 0.0 110.643 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -68.57 97.96 0.83 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.947 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -45.56 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.572 -0.705 . . . . 0.0 111.085 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.7 p-10 -75.02 -25.13 58.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 108.749 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.5 19.78 57.79 Favored Glycine 0 N--CA 1.48 1.63 0 C-N-CA 119.515 -1.326 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -80.26 -5.18 55.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.294 -1.121 . . . . 0.0 110.064 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.76 -0.67 81.4 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -137.55 154.54 49.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.412 -1.052 . . . . 0.0 108.424 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.65 122.31 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.36 -175.38 2.76 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.833 0.825 . . . . 0.0 110.327 -177.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.4 m-85 -61.21 -39.77 91.46 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.85 -51.03 71.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.303 -0.873 . . . . 0.0 109.896 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 59.6 mt-10 -67.39 -41.19 85.39 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.114 -0.992 . . . . 0.0 109.343 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -62.49 -47.75 82.61 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.725 -0.609 . . . . 0.0 110.554 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.29 -42.38 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.154 -1.591 . . . . 0.0 108.248 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -69.62 -36.48 76.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 112.221 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.497 1.914 0 O-C-N 120.813 -1.179 . . . . 0.0 110.844 -177.656 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.8 p -108.03 156.5 19.18 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.575 0.703 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.02 -42.17 94.65 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.625 -0.672 . . . . 0.0 110.273 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -62.69 -33.57 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.118 -0.989 . . . . 0.0 110.551 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.03 -41.21 97.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.304 -0.873 . . . . 0.0 109.409 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.99 -39.82 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.926 -1.108 . . . . 0.0 109.815 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.42 74.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.152 . . . . 0.0 109.749 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.984 -1.072 . . . . 0.0 110.24 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.9 -18.22 31.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.837 -1.164 . . . . 0.0 109.647 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -63.55 -43.54 96.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.744 -1.222 . . . . 0.0 109.323 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.62 -45.82 92.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.138 -0.976 . . . . 0.0 109.031 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.17 83.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.343 -0.848 . . . . 0.0 109.423 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.5 -45.6 84.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.334 -0.853 . . . . 0.0 111.095 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.1 p -62.84 -21.89 66.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.897 -1.127 . . . . 0.0 111.676 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -41.56 88.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.457 -1.402 . . . . 0.0 110.074 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.52 -36.56 73.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.058 -1.026 . . . . 0.0 109.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 26' ' ' THR . 56.3 t0 -82.55 83.26 7.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.657 -1.277 . . . . 0.0 109.654 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.53 -25.53 68.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.29 -0.881 . . . . 0.0 110.06 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.19 -28.62 70.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.142 -0.974 . . . . 0.0 110.461 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 6.34 86.28 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 120.374 -1.454 . . . . 0.0 110.126 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -88.94 3.81 50.18 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.285 -1.127 . . . . 0.0 109.911 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.58 86.86 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.815 -1.183 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 80.8 p -136.0 150.35 49.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -1.11 . . . . 0.0 108.967 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.84 130.71 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -108.06 157.49 18.21 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.232 0.539 . . . . 0.0 109.701 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -55.38 -35.44 65.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.035 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.8 tttm -65.81 -41.62 91.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 110.11 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.95 -41.61 91.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 111.551 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -55.75 7.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 0.0 110.506 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.3 96.74 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.48 -1.343 . . . . 0.0 109.965 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -61.27 -46.96 88.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.121 -1.223 . . . . 0.0 110.046 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.19 -38.31 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.638 -1.289 . . . . 0.0 109.327 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.3 ttp -63.96 -34.64 78.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -55.38 -33.95 63.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.5 m -59.33 -35.89 74.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 108.88 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.72 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 69.03 35.6 78.99 Favored Glycine 0 N--CA 1.485 1.9 0 O-C-N 121.184 -0.947 . . . . 0.0 111.55 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -114.29 156.48 24.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -1.108 . . . . 0.0 109.747 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 17.0 p30 -143.07 71.9 18.42 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.738 -0.601 . . . . 0.0 109.894 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -76.53 163.39 32.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.827 2.351 . . . . 0.0 112.926 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -103.74 169.24 8.64 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.608 0.718 . . . . 0.0 109.576 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.0 -42.24 93.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.597 -0.69 . . . . 0.0 110.275 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 96.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.084 -1.01 . . . . 0.0 110.604 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.34 -45.28 88.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.595 -1.315 . . . . 0.0 109.761 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.16 -38.15 87.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.464 -0.773 . . . . 0.0 110.695 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -59.85 -46.82 88.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.893 -1.129 . . . . 0.0 109.682 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -61.07 -43.95 98.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.206 -0.934 . . . . 0.0 110.39 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 mtt -60.78 -55.22 35.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 111.111 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -38.56 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.914 -1.116 . . . . 0.0 110.591 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -57.43 -34.97 69.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.62 -18.52 42.15 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.213 -0.929 . . . . 0.0 111.739 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 p -133.06 23.74 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 120.99 -1.069 . . . . 0.0 111.878 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.18 103.58 16.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.604 -1.31 . . . . 0.0 108.453 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 -24.67 17.54 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.009 -1.057 . . . . 0.0 110.872 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 19.5 p30 -89.52 -7.89 53.96 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.75 -1.219 . . . . 0.0 108.909 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.15 24.07 68.49 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.6 p30 -94.44 2.06 55.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.42 -1.047 . . . . 0.0 110.08 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.87 21.21 75.05 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -141.41 160.02 41.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.126 -1.22 . . . . 0.0 107.994 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.3 mt -100.63 121.46 51.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.41 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -91.19 155.04 18.89 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.84 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.2 t80 -45.82 -52.78 23.52 Favored Pre-proline 0 C--N 1.299 -1.603 0 O-C-N 121.338 -0.851 . . . . 0.0 111.978 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.42 -33.62 97.4 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 120.824 1.33 . . . . 0.0 111.379 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.27 -43.39 94.99 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.03 -45.52 93.22 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.638 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.72 -41.0 80.89 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.787 0.803 . . . . 0.0 109.691 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -63.3 -42.75 99.09 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.5 ttp -63.19 -42.02 99.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.247 -0.908 . . . . 0.0 109.382 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 110.483 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 -25.02 48.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.891 -1.131 . . . . 0.0 108.957 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -51.57 -17.79 0.94 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.362 -0.836 . . . . 0.0 108.928 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 63.4 tttm -58.99 -42.41 89.98 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -62.3 -39.36 92.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.798 -0.564 . . . . 0.0 109.68 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.51 -12.73 60.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.011 -1.056 . . . . 0.0 109.8 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 96.2 m-20 52.41 44.53 29.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 110.467 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -60.04 2.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.89 -1.131 . . . . 0.0 109.41 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.93 -10.91 54.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 108.548 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 m -48.57 -37.62 18.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.7 -43.44 98.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.568 -1.332 . . . . 0.0 109.572 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.21 -41.57 73.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.257 -0.902 . . . . 0.0 112.753 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.3 -31.71 65.95 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.498 -1.376 . . . . 0.0 110.613 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.25 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.113 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.84 -38.4 88.8 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.662 -1.274 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.73 -38.71 91.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.15 -35.55 69.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.23 -0.919 . . . . 0.0 110.311 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 36.9 t80 -58.59 -39.42 80.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.886 -1.134 . . . . 0.0 108.662 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.6 -40.02 95.59 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.673 -0.642 . . . . 0.0 110.218 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.91 -41.84 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.12 -0.987 . . . . 0.0 109.39 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -70.7 -41.1 72.42 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.651 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -83.49 85.83 7.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.835 -1.166 . . . . 0.0 110.264 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.574 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -67.14 -39.63 86.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.678 -0.639 . . . . 0.0 111.434 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.68 -29.25 68.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.971 -1.08 . . . . 0.0 110.9 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.16 84.71 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.391 -1.385 . . . . 0.0 109.655 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.9 p-10 -69.32 -7.13 34.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.076 -1.249 . . . . 0.0 109.284 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.11 -3.51 85.66 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 62.6 m-85 -134.34 140.93 46.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.6 mt -95.95 122.02 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.841 -1.162 . . . . 0.0 109.829 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -95.11 167.06 11.61 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.238 -0.914 . . . . 0.0 110.96 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.08 98.13 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.74 -0.6 . . . . 0.0 112.193 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -38.25 90.38 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.4 -1.437 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.574 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -63.38 -41.87 98.81 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.647 -0.658 . . . . 0.0 112.042 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.13 -36.48 84.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.031 -1.043 . . . . 0.0 111.633 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -67.18 -33.96 76.51 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.733 -1.23 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.495 ' CE1' HD22 ' A' ' 111' ' ' ASN . 21.2 t60 -57.77 -57.41 12.86 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.17 -0.956 . . . . 0.0 112.829 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.71 -39.41 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.086 -1.009 . . . . 0.0 108.895 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.9 mtp -62.55 -38.82 91.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.966 -1.084 . . . . 0.0 110.446 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -66.99 -40.11 87.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.215 -0.928 . . . . 0.0 110.988 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.495 HD22 ' CE1' ' A' ' 107' ' ' HIS . 97.3 m-20 -62.41 -21.52 65.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.74 12.82 30.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.254 -0.904 . . . . 0.0 109.893 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -112.5 144.42 42.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.59 -0.947 . . . . 0.0 109.401 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -157.64 133.3 9.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.914 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -119.53 -172.54 2.34 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -99.81 162.69 12.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.121 -0.987 . . . . 0.0 109.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.68 -39.87 85.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 110.126 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.19 -41.81 97.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.255 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.33 -43.46 97.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -0.854 . . . . 0.0 109.728 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.06 -36.91 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.77 -47.18 87.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.037 -1.04 . . . . 0.0 109.998 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 65.5 mm-40 -64.35 -38.74 92.09 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.198 -0.939 . . . . 0.0 110.495 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.9 mtt -60.78 -40.5 92.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 108.987 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.76 -40.99 79.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.65 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 46.1 ttp180 -60.69 -47.22 87.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.934 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.56 -40.11 73.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.943 -1.098 . . . . 0.0 111.888 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.41 60.14 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.848 -1.157 . . . . 0.0 111.204 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.05 97.37 0.68 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.902 -1.124 . . . . 0.0 110.219 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -48.09 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.0 111.493 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.2 p-10 -74.12 -25.83 59.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.073 -1.017 . . . . 0.0 108.709 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.31 19.51 58.64 Favored Glycine 0 N--CA 1.481 1.636 0 C-N-CA 119.491 -1.338 . . . . 0.0 110.099 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.4 p30 -78.67 -8.98 59.22 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.293 -1.121 . . . . 0.0 110.025 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.0 -9.12 75.84 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.035 -1.078 . . . . 0.0 110.53 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.0 mp0 -131.19 157.19 43.85 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.193 -1.181 . . . . 0.0 108.699 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.36 123.89 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.587 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.65 179.87 4.06 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.068 0.937 . . . . 0.0 110.779 -177.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 10.5 m-85 -60.06 -39.6 86.58 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.27 -49.36 78.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.91 . . . . 0.0 109.776 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.89 -39.98 79.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.242 -0.911 . . . . 0.0 109.319 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -67.56 -42.05 83.24 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.882 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.86 -38.76 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 119.99 -1.694 . . . . 0.0 108.492 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -60.65 -38.57 85.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.751 . . . . 0.0 111.233 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.501 2.105 0 O-C-N 120.94 -1.1 . . . . 0.0 111.173 -177.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -107.91 157.33 18.28 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.965 0.888 . . . . 0.0 111.305 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.25 -35.36 77.05 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.813 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -58.96 -42.15 89.18 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.123 -0.985 . . . . 0.0 109.582 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.64 -42.23 98.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.932 -1.105 . . . . 0.0 110.454 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.38 -44.65 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.686 -1.259 . . . . 0.0 109.812 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.98 -37.81 88.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.058 -1.026 . . . . 0.0 110.287 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.04 -43.44 98.83 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.828 -1.17 . . . . 0.0 110.822 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.07 -29.44 20.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.06 -44.83 95.83 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.082 -1.011 . . . . 0.0 109.297 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.39 -46.78 88.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.395 -0.816 . . . . 0.0 109.073 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.04 -33.61 70.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.448 -0.782 . . . . 0.0 110.261 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.05 -47.23 83.74 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.179 -0.951 . . . . 0.0 111.615 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.7 p -62.89 -21.41 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.839 -1.163 . . . . 0.0 111.102 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -39.79 84.53 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.717 -1.24 . . . . 0.0 109.573 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.42 -38.85 78.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.032 -1.043 . . . . 0.0 109.46 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 49.1 t0 -83.29 83.06 8.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.766 -1.209 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -63.92 -26.81 68.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.271 -0.893 . . . . 0.0 109.783 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.48 -25.26 68.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.0 109.823 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 13.48 78.51 Favored Glycine 0 N--CA 1.497 2.758 0 O-C-N 120.649 -1.282 . . . . 0.0 110.472 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -91.32 3.16 55.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.192 -1.181 . . . . 0.0 109.931 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.74 88.26 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.209 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.5 p -135.37 150.23 49.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -1.151 . . . . 0.0 109.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.91 130.55 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 p -108.0 157.89 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.339 0.59 . . . . 0.0 109.726 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -54.77 -35.1 63.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.185 -0.947 . . . . 0.0 110.54 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 34' ' ' THR . 59.6 mtpt -68.01 -39.4 83.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.048 -1.033 . . . . 0.0 109.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.86 -41.93 91.02 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.159 -0.963 . . . . 0.0 111.216 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -56.77 5.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.91 99.19 Favored Glycine 0 N--CA 1.486 1.98 0 C-N-CA 119.248 -1.453 . . . . 0.0 110.027 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.581 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 90.9 m -59.21 -46.28 88.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.666 -1.491 . . . . 0.0 109.265 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.47 -38.73 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.691 -1.256 . . . . 0.0 109.604 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.95 -37.75 86.82 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.633 -1.292 . . . . 0.0 109.324 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' NH2' ' N ' ' A' ' 34' ' ' THR . 78.1 mtm-85 -58.45 -34.11 70.47 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.618 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.5 m -55.18 -34.02 63.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 108.507 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 23.25 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.51 51.46 51.94 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -126.6 157.67 38.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.502 -0.999 . . . . 0.0 109.989 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -141.09 75.15 24.24 Favored Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.51 162.63 27.54 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.942 2.428 . . . . 0.0 112.802 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 p -105.24 162.13 13.68 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.855 0.836 . . . . 0.0 109.732 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.16 94.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.685 -0.635 . . . . 0.0 110.349 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.54 94.95 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 110.116 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.68 -46.45 85.51 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 110.127 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.34 -37.55 83.44 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.286 -0.884 . . . . 0.0 110.297 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -59.77 -45.4 92.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.937 -1.102 . . . . 0.0 109.298 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.85 -44.21 94.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 110.236 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.34 -58.59 7.96 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.942 -1.099 . . . . 0.0 110.717 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -37.31 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.22 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.9 -37.64 74.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.334 -0.854 . . . . 0.0 110.728 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.89 -20.51 63.82 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 111.708 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 p -128.01 24.43 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.038 -1.039 . . . . 0.0 111.23 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.6 t0 -90.07 99.85 12.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.767 -1.208 . . . . 0.0 108.916 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.89 17.71 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.26 -0.9 . . . . 0.0 110.509 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 32.0 p30 -92.93 -7.54 45.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.04 -1.038 . . . . 0.0 109.186 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.7 26.0 68.05 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.9 0.38 54.71 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.342 -1.093 . . . . 0.0 109.781 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.84 20.91 74.81 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.521 ' HG1' ' ND2' ' A' ' 60' ' ' ASN . 69.6 p -141.78 160.97 39.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.218 -1.166 . . . . 0.0 108.021 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.9 mt -100.33 122.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.296 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 67.5 m-20 -94.16 159.29 15.21 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -49.65 -45.34 78.78 Favored Pre-proline 0 C--N 1.304 -1.397 0 O-C-N 121.141 -0.975 . . . . 0.0 111.496 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.58 -38.91 47.9 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 CA-C-N 120.894 1.355 . . . . 0.0 110.976 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -44.74 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.06 -45.68 92.44 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.627 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.65 -39.61 84.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.093 0.949 . . . . 0.0 109.366 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -63.85 -42.69 97.51 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.407 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.83 -41.36 97.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -60.9 -41.05 95.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.411 -0.806 . . . . 0.0 110.809 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.75 -23.89 59.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.834 -1.166 . . . . 0.0 108.391 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -51.67 -18.61 1.24 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.478 -0.764 . . . . 0.0 109.343 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.4 -45.31 88.6 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.9 mpt? -62.4 -42.14 99.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.82 . . . . 0.0 109.619 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.58 -40.82 97.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.923 -1.111 . . . . 0.0 109.824 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.6 t0 60.21 56.18 3.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.656 -0.653 . . . . 0.0 109.565 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.535 ' H ' ' HG1' ' A' ' 79' ' ' THR . 0.0 OUTLIER -95.26 -73.01 0.6 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.218 -0.926 . . . . 0.0 109.652 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -83.11 -15.81 49.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.953 -1.092 . . . . 0.0 108.621 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -49.12 -31.99 9.12 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.49 -43.73 98.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.998 -1.064 . . . . 0.0 109.049 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -66.21 -41.4 90.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.502 -0.749 . . . . 0.0 109.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -70.16 -36.14 74.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.259 -0.901 . . . . 0.0 110.052 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 mt -61.27 -40.5 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.0 109.313 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.07 -37.78 86.65 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.809 -1.182 . . . . 0.0 109.817 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.96 -39.39 94.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.769 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.49 41.16 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.142 -0.973 . . . . 0.0 108.993 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -55.3 -40.3 70.92 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.97 -39.24 93.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.88 -40.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.162 -0.961 . . . . 0.0 110.044 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -71.21 -42.1 69.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.185 -0.947 . . . . 0.0 110.549 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -89.14 85.89 6.76 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.82 -1.175 . . . . 0.0 109.85 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.514 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 63.7 pttt -73.53 -22.4 60.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 110.388 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.4 -29.08 67.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.19 -0.944 . . . . 0.0 110.532 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.58 5.0 88.06 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.1 p-10 -69.62 -9.75 55.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.274 . . . . 0.0 109.316 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 4.43 79.73 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.3 m-85 -138.5 144.74 40.13 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.03 123.77 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 120.794 -1.191 . . . . 0.0 108.827 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.9 p -97.39 167.01 11.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.88 95.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.612 -0.68 . . . . 0.0 111.642 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.56 84.79 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.396 -1.44 . . . . 0.0 109.629 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.42 -42.27 98.48 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.153 -0.967 . . . . 0.0 111.948 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.31 -34.31 77.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.882 -1.136 . . . . 0.0 110.782 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' OG1' ' A' ' 110' ' ' THR . 84.0 mtp180 -66.81 -34.27 77.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.032 -1.043 . . . . 0.0 110.676 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.514 ' CD2' ' NZ ' ' A' ' 94' ' ' LYS . 6.9 t60 -65.8 -58.54 5.4 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.41 -44.57 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.231 -0.918 . . . . 0.0 110.234 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.461 ' SD ' ' C ' ' A' ' 109' ' ' MET . 4.5 ppp? -65.23 -23.83 67.17 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.55 -1.343 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.2 m -70.56 -40.65 73.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.658 -1.276 . . . . 0.0 110.084 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -66.9 -20.5 65.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.374 -0.829 . . . . 0.0 110.443 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.29 7.85 38.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.987 -1.071 . . . . 0.0 109.887 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.39 79.35 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.185 -1.007 . . . . 0.0 110.778 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.4 135.43 37.04 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.114 -1.227 . . . . 0.0 109.343 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -132.21 101.33 5.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.607 -0.683 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.05 173.59 6.26 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.9 p -101.02 163.97 12.03 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.3 -0.875 . . . . 0.0 108.77 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.61 -38.67 81.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.088 -1.008 . . . . 0.0 109.649 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.03 -41.12 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.122 -0.986 . . . . 0.0 109.175 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.5 -43.12 99.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.249 -0.907 . . . . 0.0 109.419 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.63 -36.12 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.27 -45.35 94.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.091 -1.006 . . . . 0.0 110.177 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.46 -38.59 91.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.041 -1.037 . . . . 0.0 110.342 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.4 mtt -61.07 -39.56 90.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.205 -0.934 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.89 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 108.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.56 -45.22 94.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.932 -1.105 . . . . 0.0 110.625 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.29 -39.3 92.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.154 -0.966 . . . . 0.0 111.589 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.95 -5.96 59.14 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.787 -1.196 . . . . 0.0 110.82 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -81.63 88.97 6.2 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.847 -1.158 . . . . 0.0 110.136 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.93 -44.69 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.342 -0.849 . . . . 0.0 111.44 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.3 p-10 -77.79 -24.28 48.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.107 . . . . 0.0 109.015 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.552 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.28 22.9 58.08 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -77.43 -10.54 59.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.362 -1.081 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.81 -11.2 69.6 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 9.8 mp0 -130.91 166.22 21.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.309 -1.112 . . . . 0.0 108.47 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.82 124.48 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.601 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.54 -179.29 3.83 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.964 0.887 . . . . 0.0 110.436 -178.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.6 m-85 -59.08 -39.3 81.7 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.49 -50.45 73.52 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.394 -0.816 . . . . 0.0 109.63 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -68.56 -40.64 80.52 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.969 -1.082 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.89 -46.93 85.55 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.772 -0.58 . . . . 0.0 110.899 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.97 -42.27 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 119.942 -1.724 . . . . 0.0 107.674 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -62.19 -39.8 93.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 110.77 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.832 -178.313 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -109.22 157.13 19.1 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.595 0.712 . . . . 0.0 110.497 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.7 pm0 -65.38 -29.45 70.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.53 -0.731 . . . . 0.0 110.415 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.66 -37.75 76.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.124 -0.985 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.68 -40.3 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.14 -0.975 . . . . 0.0 110.105 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.03 -40.06 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.818 -1.176 . . . . 0.0 109.49 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.74 79.1 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.94 -1.1 . . . . 0.0 109.593 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.96 -44.11 97.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.979 -1.076 . . . . 0.0 110.705 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.3 -21.08 25.96 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.845 -1.16 . . . . 0.0 109.857 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.47 -43.47 97.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.797 -1.19 . . . . 0.0 109.047 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.52 -45.8 92.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 0.0 108.879 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.49 84.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.138 -0.976 . . . . 0.0 109.27 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.32 -45.22 84.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.251 -0.906 . . . . 0.0 110.869 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.88 -22.73 66.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.975 -1.078 . . . . 0.0 111.705 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -43.02 83.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.361 -1.462 . . . . 0.0 110.056 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.64 -38.07 77.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.003 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 52.3 t0 -83.83 81.04 8.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.823 -1.173 . . . . 0.0 109.718 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.03 -22.12 66.42 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.209 -0.932 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.12 -30.69 71.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.398 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.2 4.26 88.82 Favored Glycine 0 N--CA 1.496 2.664 0 O-C-N 120.362 -1.462 . . . . 0.0 110.096 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -87.86 3.07 49.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -1.125 . . . . 0.0 109.852 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 11.57 85.08 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.478 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 64.9 p -137.36 149.84 47.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -1.16 . . . . 0.0 108.914 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 130.48 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 121.789 0.804 . . . . 0.0 108.926 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.4 p -109.31 159.08 17.26 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -56.82 -35.03 68.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.24 -0.913 . . . . 0.0 110.145 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.7 tttt -64.81 -42.22 95.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.92 . . . . 0.0 109.846 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 42.4 mt-10 -64.98 -43.81 91.41 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.404 -0.81 . . . . 0.0 111.159 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -50.91 27.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.142 -0.974 . . . . 0.0 109.549 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.24 97.27 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.234 -1.46 . . . . 0.0 110.126 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 87.1 m -59.8 -46.63 88.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.835 -1.391 . . . . 0.0 109.713 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.89 -32.33 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.848 -1.158 . . . . 0.0 108.653 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 ttt -60.75 -33.54 73.08 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.935 -1.103 . . . . 0.0 109.453 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -59.71 -30.23 68.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -58.34 -37.41 75.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.92 13.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 0.0 108.903 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 62.74 41.57 99.82 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.222 -0.99 . . . . 0.0 110.862 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -114.99 160.8 19.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.472 -1.017 . . . . 0.0 109.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -141.5 68.64 25.8 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.706 -0.621 . . . . 0.0 109.477 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -77.28 166.09 26.77 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 123.099 2.533 . . . . 0.0 112.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -102.78 160.83 14.24 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.772 0.796 . . . . 0.0 109.797 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.79 -42.83 98.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.76 -0.588 . . . . 0.0 110.7 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.835 -1.166 . . . . 0.0 110.127 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.78 -44.23 94.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.83 -1.169 . . . . 0.0 110.256 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.17 -37.66 84.1 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.317 -0.865 . . . . 0.0 109.487 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.734 HE22 HD22 ' A' ' 53' ' ' ASN . 18.0 tm0? -60.6 -40.25 91.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 108.511 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -62.17 -43.55 98.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.84 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.1 mtt -60.1 -51.08 71.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.895 -1.128 . . . . 0.0 110.319 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.24 -34.67 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.985 -1.072 . . . . 0.0 109.625 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.734 HD22 HE22 ' A' ' 49' ' ' GLN . 21.1 m-20 -55.87 -26.08 45.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.937 -1.102 . . . . 0.0 110.214 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.93 -26.52 68.24 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.959 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 12.9 p -135.66 37.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.002 -1.061 . . . . 0.0 111.547 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -94.8 104.22 16.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.71 -1.244 . . . . 0.0 109.196 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.87 -24.44 17.73 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.048 -1.032 . . . . 0.0 110.525 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.0 p30 -92.43 -10.01 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.214 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.77 25.66 69.28 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -96.5 2.83 52.84 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.379 -1.071 . . . . 0.0 110.598 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.63 21.34 74.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.486 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.3 p -141.01 161.48 37.75 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.81 122.66 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -89.2 153.15 21.16 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.879 -1.129 . . . . 0.0 108.021 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -47.09 -46.53 54.92 Favored Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 111.597 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.2 -36.99 77.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 CA-C-N 121.151 1.447 . . . . 0.0 111.045 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.18 -43.37 98.98 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 32.4 t80 -60.98 -44.73 96.94 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.662 0.744 . . . . 0.0 110.379 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.23 -41.68 93.63 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.779 0.799 . . . . 0.0 110.037 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.3 m -61.07 -42.59 98.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.3 ttp -63.67 -37.12 86.15 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.831 -0.747 . . . . 0.0 109.23 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 68' ' ' PHE . 2.4 mtp -59.97 -43.48 95.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.038 -1.038 . . . . 0.0 109.855 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.23 -22.74 47.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.777 -1.202 . . . . 0.0 108.837 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.46 HH11 ' HG1' ' A' ' 79' ' ' THR . 63.5 ttm-85 -59.67 -21.84 61.11 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.599 -0.688 . . . . 0.0 110.463 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.6 -42.86 75.44 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.092 -1.005 . . . . 0.0 108.362 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 2.0 mpt? -60.77 -38.51 85.5 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.82 -22.43 62.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.149 -0.97 . . . . 0.0 109.392 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 82' ' ' GLU . 13.4 t70 58.35 55.13 5.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 109.889 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.46 ' HG1' HH11 ' A' ' 74' ' ' ARG . 0.1 OUTLIER -91.97 -65.1 1.03 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.0 -1.063 . . . . 0.0 109.768 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -83.04 -12.24 57.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.976 -1.077 . . . . 0.0 108.162 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -48.8 -37.58 19.59 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 78' ' ' ASP . 58.3 mp0 -61.28 -41.47 97.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 109.214 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.19 -45.71 87.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.127 -0.983 . . . . 0.0 109.784 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.56 -39.83 84.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -0.943 . . . . 0.0 110.556 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.2 -46.18 97.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.6 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -67.71 -39.0 84.39 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.581 -1.325 . . . . 0.0 110.018 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -68.03 -38.99 83.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.949 -1.095 . . . . 0.0 110.115 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.16 62.39 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.237 -0.914 . . . . 0.0 110.079 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.1 t80 -57.36 -40.59 78.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 108.913 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.88 -39.48 94.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.555 -0.715 . . . . 0.0 110.179 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.36 -40.0 63.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.305 -0.872 . . . . 0.0 109.681 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.2 -42.76 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.141 -0.974 . . . . 0.0 110.43 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -88.61 86.09 6.94 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.861 -1.149 . . . . 0.0 110.328 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -76.82 -23.09 52.79 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.058 -1.026 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 96.4 m-20 -68.54 -29.67 68.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.952 -1.093 . . . . 0.0 110.536 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.41 5.6 87.78 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.1 p-10 -69.55 -8.24 45.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.786 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.59 -2.18 86.04 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.8 m-85 -132.86 140.84 48.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -94.14 130.91 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.961 -1.087 . . . . 0.0 109.924 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 p -107.3 165.97 10.99 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.982 0.896 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.0 90.49 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.876 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.09 84.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.309 -1.494 . . . . 0.0 108.539 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.4 mt-10 -61.69 -40.04 93.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.269 -0.895 . . . . 0.0 109.717 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -41.02 86.62 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 111.704 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.453 ' O ' ' OG1' ' A' ' 110' ' ' THR . 90.4 mtm180 -63.02 -37.03 85.58 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 120.314 -1.491 . . . . 0.0 110.171 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.3 -61.92 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.227 -0.921 . . . . 0.0 112.351 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.68 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.327 -0.858 . . . . 0.0 110.071 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 99.7 mtp -63.54 -39.43 94.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.848 -1.157 . . . . 0.0 110.405 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.3 m -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.214 -0.928 . . . . 0.0 110.253 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -36.49 84.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 111.613 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.19 -3.97 25.04 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.208 -0.932 . . . . 0.0 111.029 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.01 -94.74 0.18 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -174.03 160.55 3.5 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.465 -1.609 . . . . 0.0 108.432 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.15 133.76 51.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -109.97 -172.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.9 p -101.92 159.52 15.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.967 -1.083 . . . . 0.0 109.137 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -57.58 -40.3 78.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 109.909 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.99 -42.45 94.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.041 -1.037 . . . . 0.0 109.663 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -61.43 -45.23 95.19 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.201 -0.937 . . . . 0.0 110.101 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.75 -32.83 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.543 -0.723 . . . . 0.0 109.136 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.58 -43.0 97.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.067 -1.021 . . . . 0.0 109.491 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -39.0 92.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.853 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.3 ttt -58.79 -40.11 83.08 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.027 -1.046 . . . . 0.0 109.239 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.81 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.382 -0.823 . . . . 0.0 109.7 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.5 -45.81 90.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.917 -1.114 . . . . 0.0 111.283 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.16 -38.99 93.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.99 -1.069 . . . . 0.0 111.316 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 0.21 57.37 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.889 -1.132 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -81.3 83.57 6.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.217 . . . . 0.0 110.534 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.07 -43.96 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.131 -0.981 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.8 p30 -76.2 -25.43 55.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.77 20.46 63.54 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 48.9 p-10 -81.11 -4.21 54.55 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.361 -1.082 . . . . 0.0 110.103 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.78 -0.14 83.06 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -138.15 159.14 42.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.189 -1.183 . . . . 0.0 108.5 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.8 t -98.54 121.92 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.599 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.57 -178.62 3.7 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.716 0.769 . . . . 0.0 109.922 -178.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 9.1 m-85 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -60.64 -50.79 72.09 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.442 -0.787 . . . . 0.0 109.852 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 80.3 mt-10 -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.031 -1.043 . . . . 0.0 109.152 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.61 -47.43 81.42 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.689 -0.632 . . . . 0.0 110.792 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.01 -43.43 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 119.992 -1.692 . . . . 0.0 108.052 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.88 -40.17 96.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.374 -0.828 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 109.962 -179.284 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -108.12 156.75 18.95 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.615 0.722 . . . . 0.0 110.852 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -63.66 -20.12 65.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.662 -0.649 . . . . 0.0 110.249 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.02 -39.42 83.14 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.809 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -66.21 -39.62 89.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 110.514 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.519 -1.363 . . . . 0.0 108.802 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.0 89.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.105 -0.997 . . . . 0.0 109.983 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.05 -43.44 98.82 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.836 -1.165 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.5 -28.12 22.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.869 -1.144 . . . . 0.0 110.857 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.76 -44.26 96.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.986 -1.071 . . . . 0.0 109.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.83 -46.95 87.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 108.855 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.13 73.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 0.0 110.032 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 82.1 t80 -59.09 -47.63 84.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.066 -1.021 . . . . 0.0 111.792 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.05 -22.37 65.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.835 -1.166 . . . . 0.0 111.089 -177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -39.55 90.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.794 -1.191 . . . . 0.0 109.756 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.35 -38.76 78.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.99 -1.069 . . . . 0.0 109.963 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -82.69 83.49 7.64 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.672 -1.267 . . . . 0.0 109.83 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -62.59 -29.35 70.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.28 -0.887 . . . . 0.0 109.881 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.41 -26.77 68.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 0.0 110.031 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.65 78.71 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 120.507 -1.371 . . . . 0.0 110.532 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -92.32 5.1 51.84 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.121 -1.223 . . . . 0.0 109.963 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.78 7.98 88.06 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.384 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.3 p -135.87 151.36 49.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.26 -1.141 . . . . 0.0 109.16 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.2 mt -105.49 130.53 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -107.71 158.5 17.22 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.373 0.606 . . . . 0.0 109.913 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 p -55.47 -36.47 66.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.225 -0.922 . . . . 0.0 110.455 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.8 tttt -65.66 -41.72 92.21 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.128 -0.982 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.55 -41.85 92.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.293 -0.88 . . . . 0.0 111.474 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -56.44 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.057 -1.027 . . . . 0.0 110.268 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.6 99.15 Favored Glycine 0 N--CA 1.485 1.937 0 C-N-CA 119.444 -1.36 . . . . 0.0 110.174 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 90.5 m -59.95 -46.89 87.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.017 -1.284 . . . . 0.0 109.464 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.08 -38.88 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.667 -1.271 . . . . 0.0 109.231 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.32 -33.52 75.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.951 -1.093 . . . . 0.0 108.874 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -58.17 -36.36 72.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.36 -0.838 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.6 m -56.07 -34.21 65.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.224 -0.922 . . . . 0.0 108.575 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.39 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.62 55.05 22.28 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -126.11 152.51 45.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.446 -1.032 . . . . 0.0 109.749 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -140.61 66.04 27.14 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.45 162.87 30.33 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 123.039 2.492 . . . . 0.0 112.395 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -99.72 160.8 14.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.399 -0.813 . . . . 0.0 109.773 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -60.74 -43.25 98.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.672 -0.642 . . . . 0.0 110.373 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.15 93.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.104 -0.997 . . . . 0.0 110.033 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.34 -45.29 91.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.39 -38.16 86.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.249 -0.907 . . . . 0.0 110.38 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.64 HE22 ' ND2' ' A' ' 53' ' ' ASN . 14.2 tm0? -60.24 -40.36 89.99 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 108.461 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.96 -47.24 85.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.476 -0.765 . . . . 0.0 110.311 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.11 -56.83 15.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.079 . . . . 0.0 110.434 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -35.79 69.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.568 -0.708 . . . . 0.0 110.044 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.64 ' ND2' HE22 ' A' ' 49' ' ' GLN . 6.6 m-20 -59.11 -26.13 64.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.76 -24.88 67.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.135 -0.978 . . . . 0.0 111.26 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.52 32.74 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 120.959 -1.088 . . . . 0.0 111.565 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.0 t0 -91.13 102.4 15.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.611 -1.305 . . . . 0.0 108.968 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.71 -23.8 18.09 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.08 -1.012 . . . . 0.0 110.316 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.536 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 29.8 p30 -92.61 -6.84 48.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.96 -1.088 . . . . 0.0 109.054 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.4 26.61 64.45 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.536 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.8 p-10 -96.09 2.51 53.3 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.317 -1.108 . . . . 0.0 110.449 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.41 19.86 74.81 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.489 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 70.5 p -140.45 160.9 38.98 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.176 -1.19 . . . . 0.0 107.81 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.89 122.24 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.46 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -91.21 155.67 18.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.084 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 27.4 t80 -46.83 -52.9 29.47 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.289 -0.882 . . . . 0.0 111.707 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 16.8 Cg_endo -57.39 -35.95 98.85 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 CA-C-N 120.696 1.284 . . . . 0.0 111.382 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.15 -44.55 91.79 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 51.6 t80 -62.1 -46.93 86.9 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.074 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.9 tp -59.09 -39.79 83.28 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.942 0.877 . . . . 0.0 109.738 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.2 m -64.39 -43.51 94.23 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.193 0.52 . . . . 0.0 109.801 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ttp -62.4 -42.66 99.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.165 -0.959 . . . . 0.0 109.342 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.88 -41.7 96.48 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.52 -0.738 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -29.16 52.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.764 -1.21 . . . . 0.0 109.153 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' ASP . 41.9 ttm180 -62.87 -43.18 99.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.449 -0.782 . . . . 0.0 110.403 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 78' ' ' ASP . 87.8 tttt -59.3 -45.97 89.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 108.903 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmm -64.5 -36.51 84.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.167 -0.958 . . . . 0.0 109.786 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.35 10.42 40.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.783 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 74' ' ' ARG . 22.2 t0 -156.63 179.95 8.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.011 -1.056 . . . . 0.0 109.361 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -141.9 47.2 1.64 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.587 -0.696 . . . . 0.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -69.26 -8.9 50.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.6 p -77.64 3.92 12.67 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.54 -46.58 80.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.467 -0.771 . . . . 0.0 109.514 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.4 -39.65 91.47 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.639 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 55.6 mp0 -70.43 -28.11 64.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.662 -0.649 . . . . 0.0 109.961 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.1 -42.76 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -66.3 -36.7 83.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.773 -1.205 . . . . 0.0 110.008 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -39.69 94.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.44 -27.95 40.77 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 30.8 t80 -56.77 -39.86 74.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.382 -0.824 . . . . 0.0 109.225 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.91 88.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.075 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.82 -41.37 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 0.0 109.758 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.99 -39.57 69.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 110.017 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.2 t0 -82.5 81.43 8.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.986 -1.071 . . . . 0.0 110.666 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -63.69 -43.24 97.24 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.313 -0.867 . . . . 0.0 111.531 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 56.5 p30 -68.68 -26.31 65.23 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.793 -1.192 . . . . 0.0 111.056 -177.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.34 15.21 81.64 Favored Glycine 0 N--CA 1.487 2.059 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.978 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.1 p-10 -69.15 -5.75 24.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.854 -1.38 . . . . 0.0 108.47 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.65 3.58 80.66 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.479 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 45.3 m-85 -138.78 143.89 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.54 128.79 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.745 -1.222 . . . . 0.0 109.577 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -106.06 165.64 11.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.988 0.899 . . . . 0.0 110.746 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.55 92.17 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.838 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.2 86.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.378 -1.451 . . . . 0.0 108.497 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.58 -41.05 96.85 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.107 -0.996 . . . . 0.0 109.88 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -40.3 90.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.268 -0.895 . . . . 0.0 110.263 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 59.5 ttp180 -62.09 -39.5 92.66 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.618 -1.301 . . . . 0.0 110.102 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.26 -60.76 2.81 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.297 -0.877 . . . . 0.0 112.535 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.34 -40.99 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.173 -0.954 . . . . 0.0 109.623 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.3 mtp -63.32 -38.29 90.59 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 110.17 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.8 m -66.09 -40.73 91.02 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.209 -0.932 . . . . 0.0 111.338 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.45 -22.27 66.91 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.106 -0.996 . . . . 0.0 111.553 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.5 mt -89.11 9.4 25.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.797 -1.19 . . . . 0.0 110.18 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.31 11.08 83.84 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -106.79 137.38 44.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.614 -0.933 . . . . 0.0 109.035 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -143.63 122.13 12.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.422 -0.799 . . . . 0.0 109.477 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.26 -179.27 3.59 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.2 p -101.16 164.3 11.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 108.939 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -59.39 -39.23 82.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.255 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -62.08 -40.08 94.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.03 -1.044 . . . . 0.0 109.344 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.93 -43.16 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.615 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -72.42 -35.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.36 -41.52 89.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.087 -1.008 . . . . 0.0 109.251 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.34 -39.04 91.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.977 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.005 -1.059 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.47 -44.56 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.721 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -60.74 -45.42 94.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.985 . . . . 0.0 110.903 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.53 -38.6 87.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.963 -1.086 . . . . 0.0 111.391 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.73 0.88 56.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.804 -1.185 . . . . 0.0 110.853 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.27 83.89 7.28 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.655 -1.278 . . . . 0.0 111.108 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.13 -44.07 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.19 -0.943 . . . . 0.0 110.848 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.6 p-10 -76.45 -25.75 54.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 109.085 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.51 20.71 63.55 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.451 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.1 p-10 -79.98 -7.6 58.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.333 -1.098 . . . . 0.0 110.285 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 86.42 -7.04 80.57 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.848 -1.168 . . . . 0.0 110.21 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.5 mp0 -131.4 170.4 14.72 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.269 -1.136 . . . . 0.0 108.591 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.92 125.07 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.595 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 -179.06 3.77 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.912 0.863 . . . . 0.0 110.464 -178.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.4 m-85 -59.45 -40.02 85.46 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -60.62 -50.37 73.77 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.381 -0.825 . . . . 0.0 109.653 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 86.9 mt-10 -67.71 -40.71 84.26 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.237 -0.915 . . . . 0.0 109.359 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.54 -48.2 80.54 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.868 -0.52 . . . . 0.0 110.673 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.1 t -71.51 -44.24 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.593 0 O-C-N 119.925 -1.735 . . . . 0.0 108.435 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -61.68 -41.46 97.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.329 -0.857 . . . . 0.0 110.053 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 C--N 1.296 -1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 109.274 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.495 1.814 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 61.2 p -109.73 157.52 19.04 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-O 121.688 0.756 . . . . 0.0 110.682 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.38 -39.91 94.78 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.706 -0.621 . . . . 0.0 110.053 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.84 -41.09 97.39 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.071 -1.018 . . . . 0.0 110.303 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 72.2 mt-30 -61.42 -40.09 93.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.102 -0.999 . . . . 0.0 110.02 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.15 -40.01 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.594 -1.316 . . . . 0.0 109.64 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.97 76.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.924 -1.11 . . . . 0.0 109.837 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.79 -42.51 97.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.812 -1.18 . . . . 0.0 110.331 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.96 -19.26 29.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.911 -1.118 . . . . 0.0 109.752 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.32 -43.21 98.44 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.798 -1.189 . . . . 0.0 109.206 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.83 -43.48 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.078 -1.014 . . . . 0.0 109.255 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.55 84.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.935 . . . . 0.0 109.188 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 -45.28 86.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 0.0 111.34 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.32 -39.3 82.63 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.059 -1.026 . . . . 0.0 111.503 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -42.07 63.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.72 -1.237 . . . . 0.0 110.502 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -67.66 -38.69 84.15 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.796 -1.19 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 52.2 t0 -84.05 82.98 8.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.676 -1.265 . . . . 0.0 109.711 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -63.34 -25.38 68.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.251 -0.906 . . . . 0.0 110.083 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.36 -28.8 70.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.987 -1.071 . . . . 0.0 110.131 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.83 85.12 Favored Glycine 0 N--CA 1.498 2.795 0 O-C-N 120.532 -1.355 . . . . 0.0 110.129 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -91.59 5.15 50.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.453 -1.028 . . . . 0.0 109.793 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 12.52 84.52 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 72.9 p -137.68 149.82 46.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.183 -1.187 . . . . 0.0 109.205 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -105.67 130.56 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 CA-C-O 121.715 0.769 . . . . 0.0 109.087 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.6 p -107.43 158.28 17.31 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.9 p -55.65 -35.72 66.25 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.15 -0.969 . . . . 0.0 110.121 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' OG1' ' A' ' 34' ' ' THR . 27.4 ttpp -64.73 -42.35 95.28 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.0 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.98 -42.07 90.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.853 . . . . 0.0 111.384 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -56.04 6.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.037 . . . . 0.0 110.223 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.07 96.44 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.056 -1.545 . . . . 0.0 109.88 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 94.0 m -59.88 -46.17 90.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.985 -1.303 . . . . 0.0 109.098 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.14 -38.41 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.68 -1.262 . . . . 0.0 108.978 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.5 ttp -65.1 -27.6 68.86 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 108.815 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -60.94 -37.74 83.41 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.329 -0.857 . . . . 0.0 109.686 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.626 ' C ' ' H ' ' A' ' 40' ' ' GLY . 46.2 t -57.8 -35.25 70.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 108.766 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.33 16.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.626 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.85 36.37 92.07 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.063 -1.023 . . . . 0.0 110.582 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -110.75 154.69 23.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.521 -0.988 . . . . 0.0 109.803 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -138.59 68.71 45.3 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.69 163.74 28.8 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 123.049 2.499 . . . . 0.0 112.825 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 p -105.69 165.25 11.3 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.735 0.779 . . . . 0.0 109.574 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.07 -42.02 93.66 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.643 -0.661 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.91 95.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.32 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.34 -45.22 88.8 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.952 -1.092 . . . . 0.0 110.221 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.08 -35.52 80.0 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.368 -0.833 . . . . 0.0 109.558 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -58.72 -48.43 81.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 0.0 109.806 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.05 -1.031 . . . . 0.0 109.73 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.3 mtt -60.98 -51.63 68.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.112 -0.993 . . . . 0.0 110.674 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -40.06 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.978 -1.076 . . . . 0.0 110.495 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.29 -36.25 75.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.534 -0.729 . . . . 0.0 110.236 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.88 -24.08 61.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.187 -0.946 . . . . 0.0 111.71 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.75 16.31 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 O-C-N 121.249 -0.907 . . . . 0.0 111.296 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 64.4 t0 -85.69 105.92 16.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.692 -1.255 . . . . 0.0 109.146 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.45 -24.16 17.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.22 -0.925 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 37.0 p30 -90.81 -6.63 54.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.887 -1.133 . . . . 0.0 109.439 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.26 24.95 66.02 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.5 p-10 -92.88 0.1 57.34 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -1.148 . . . . 0.0 109.62 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.45 17.37 77.72 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.07 161.54 37.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.164 -1.198 . . . . 0.0 107.951 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.52 122.19 53.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -92.21 153.28 19.39 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.002 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -43.54 -52.2 14.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 O-C-N 121.327 -0.858 . . . . 0.0 112.095 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.67 -32.8 96.41 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 CA-C-N 120.921 1.365 . . . . 0.0 111.469 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.97 -43.76 91.58 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -60.94 -44.43 97.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.423 0.63 . . . . 0.0 110.013 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.6 -39.22 79.8 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.32 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -62.04 -44.05 97.54 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.0 -41.05 97.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.189 -0.944 . . . . 0.0 109.638 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.54 -44.03 93.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.936 . . . . 0.0 110.873 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.54 -23.71 42.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.848 -1.157 . . . . 0.0 108.669 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -58.18 -26.56 62.93 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.692 -0.63 . . . . 0.0 110.147 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 38.7 ttpt -57.1 -44.27 83.05 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 109.07 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtt -61.4 -43.65 98.51 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 108.912 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -70.17 -37.3 75.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 47.6 m-20 60.12 51.81 5.46 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.337 0.589 . . . . 0.0 109.687 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -69.94 0.59 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.336 -0.853 . . . . 0.0 110.077 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 81' ' ' SER . 57.8 p-10 -81.2 -16.37 52.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 90.8 p -55.79 -24.63 36.93 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.183 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.59 -41.99 91.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.77 -39.42 93.58 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.473 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.08 -18.76 61.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mt -61.05 -43.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.908 -1.12 . . . . 0.0 108.657 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -65.41 -39.27 91.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.642 -1.286 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.13 -38.19 87.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.887 -1.133 . . . . 0.0 110.168 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.84 67.99 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 32.0 t80 -56.55 -38.34 71.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.844 -1.16 . . . . 0.0 108.886 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.08 -40.37 97.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 110.794 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -39.88 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.009 . . . . 0.0 109.543 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.16 -41.45 63.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.305 -0.872 . . . . 0.0 109.866 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.3 t0 -81.24 82.66 7.06 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.021 -1.049 . . . . 0.0 109.883 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.41 -44.62 90.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.646 -0.659 . . . . 0.0 111.344 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 52.9 p-10 -68.78 -27.12 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.011 -1.056 . . . . 0.0 110.792 -178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.31 16.48 79.82 Favored Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.578 -1.296 . . . . 0.0 110.072 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.8 p-10 -68.79 -7.26 32.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.351 . . . . 0.0 108.585 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.23 80.07 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.527 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.2 m-85 -134.02 142.3 47.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -96.8 127.87 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.56 -1.338 . . . . 0.0 109.151 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.4 p -105.68 165.21 11.33 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.816 0.817 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.88 86.1 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.868 -0.52 . . . . 0.0 111.379 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.12 83.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.452 -1.405 . . . . 0.0 108.624 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.6 -40.49 94.99 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.238 -0.914 . . . . 0.0 109.961 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -40.68 85.81 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.211 -0.93 . . . . 0.0 111.008 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.444 ' O ' ' OG1' ' A' ' 110' ' ' THR . 79.5 mtp180 -63.8 -37.96 89.33 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.394 -1.441 . . . . 0.0 109.983 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.75 -60.05 3.54 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.448 -0.783 . . . . 0.0 112.389 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.74 -40.65 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.079 -1.013 . . . . 0.0 109.769 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mtp -62.75 -38.01 88.85 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.2 m -64.39 -40.74 96.39 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.224 -0.923 . . . . 0.0 110.799 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.14 -23.12 67.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.111 -0.993 . . . . 0.0 111.349 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.04 7.87 38.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.907 -1.121 . . . . 0.0 109.832 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 11.05 83.66 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.55 127.07 47.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.588 -0.948 . . . . 0.0 108.889 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -135.78 116.81 14.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.557 -0.714 . . . . 0.0 109.465 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 -177.49 3.14 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -101.35 162.74 12.68 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.29 -0.881 . . . . 0.0 109.08 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.38 -40.68 82.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 110.047 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.51 -41.55 94.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.051 -1.031 . . . . 0.0 109.157 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.12 -43.44 98.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 109.67 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.77 -32.86 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.94 -40.66 85.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 108.851 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.5 -37.84 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.136 -0.978 . . . . 0.0 109.857 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.03 -42.97 91.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.118 -0.989 . . . . 0.0 109.884 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.36 -46.2 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.117 -0.99 . . . . 0.0 110.099 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.91 -41.53 99.47 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.625 -1.297 . . . . 0.0 111.172 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.41 -39.19 85.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.88 -1.137 . . . . 0.0 111.211 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.52 -7.23 55.37 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.918 -1.114 . . . . 0.0 111.427 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.9 90.67 4.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.698 -1.252 . . . . 0.0 109.795 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.26 -44.45 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.548 -0.72 . . . . 0.0 111.312 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.7 p30 -77.32 -24.28 50.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.564 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.62 21.72 57.47 Favored Glycine 0 N--CA 1.482 1.704 0 C-N-CA 119.608 -1.282 . . . . 0.0 109.939 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.8 p30 -77.87 -11.78 59.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.354 -1.086 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.51 -10.52 73.12 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.4 162.99 28.88 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -1.095 . . . . 0.0 108.529 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.93 123.15 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.24 -174.67 2.58 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.995 0.902 . . . . 0.0 110.619 -177.624 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.8 m-85 -62.06 -40.09 94.61 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.9 -50.84 71.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.378 -0.826 . . . . 0.0 109.805 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.39 -41.62 84.69 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.213 -0.929 . . . . 0.0 109.245 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.95 -47.42 83.26 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.588 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.55 -43.19 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.029 -1.669 . . . . 0.0 108.654 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -64.98 -38.34 90.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.564 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.302 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 50.3 p -109.19 156.96 19.25 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.558 0.694 . . . . 0.0 110.565 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -39.76 94.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.557 -0.714 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.979 -1.076 . . . . 0.0 110.375 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 64.3 mt-30 -61.39 -40.03 92.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.023 . . . . 0.0 110.173 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.23 -39.63 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.464 -1.398 . . . . 0.0 109.654 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.35 76.37 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.901 -1.125 . . . . 0.0 109.792 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.772 -1.205 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.74 -19.37 29.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.869 -1.145 . . . . 0.0 109.775 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.4 -43.16 98.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 109.072 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.98 -46.28 89.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.194 -0.942 . . . . 0.0 108.985 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.76 81.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.218 -0.926 . . . . 0.0 109.493 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.04 -46.01 82.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.304 -0.872 . . . . 0.0 111.139 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -62.64 -21.99 66.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.871 -1.143 . . . . 0.0 111.779 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.9 88.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.402 -1.436 . . . . 0.0 110.094 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -69.38 -37.86 77.75 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.078 -1.014 . . . . 0.0 109.575 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -83.74 81.37 8.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.63 -1.294 . . . . 0.0 109.783 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.54 -22.56 66.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.17 -0.956 . . . . 0.0 110.007 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.09 -30.22 71.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 3.79 88.51 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.37 -1.457 . . . . 0.0 110.389 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -87.62 2.13 51.76 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.275 -1.132 . . . . 0.0 110.141 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.24 86.8 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.531 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.9 p -136.02 150.14 49.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.251 -1.146 . . . . 0.0 108.87 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.02 131.0 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.742 0.782 . . . . 0.0 108.998 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.6 p -109.01 159.49 16.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -55.98 -35.8 67.15 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.242 -0.911 . . . . 0.0 110.224 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.7 tttm -64.6 -41.57 96.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.239 -0.913 . . . . 0.0 109.795 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -42.92 88.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.502 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -52.56 18.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.996 -1.065 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.34 -39.63 96.4 Favored Glycine 0 N--CA 1.487 2.088 0 C-N-CA 119.539 -1.315 . . . . 0.0 109.864 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 87.5 m -60.61 -46.24 91.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.933 -1.334 . . . . 0.0 109.551 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.26 -37.67 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 120.753 -1.217 . . . . 0.0 109.154 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 ttt -62.32 -35.04 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.762 -1.212 . . . . 0.0 108.87 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -57.1 -34.94 68.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.504 -0.748 . . . . 0.0 109.474 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -57.76 -36.06 71.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 18.15 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.111 -0.993 . . . . 0.0 109.073 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.13 38.57 96.15 Favored Glycine 0 N--CA 1.484 1.846 0 C-N-CA 120.214 -0.994 . . . . 0.0 110.65 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.27 159.89 21.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.517 -0.99 . . . . 0.0 109.395 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -141.63 73.02 24.62 Favored Pre-proline 0 C--N 1.299 -1.629 0 O-C-N 121.651 -0.656 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.08 161.44 32.61 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.645 2.23 . . . . 0.0 112.072 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -104.25 163.67 12.26 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.755 0.788 . . . . 0.0 110.036 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -42.56 98.26 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.425 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.61 94.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.989 -1.069 . . . . 0.0 110.16 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.05 -43.52 92.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.852 -1.155 . . . . 0.0 109.987 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.47 -28.92 65.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.222 -0.924 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -59.14 -46.38 88.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 109.174 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.55 -41.18 94.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.0 ttp -60.22 -51.51 69.28 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.829 -1.17 . . . . 0.0 110.085 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -36.27 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.33 -36.37 73.3 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -61.1 -19.62 61.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.852 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.81 28.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.928 -1.108 . . . . 0.0 111.34 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.2 t0 -90.73 100.47 13.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.782 -1.199 . . . . 0.0 108.705 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 -22.55 18.45 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.068 -1.02 . . . . 0.0 110.34 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.2 p30 -91.9 -11.17 37.07 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.993 -1.067 . . . . 0.0 109.144 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.48 24.89 69.7 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.8 p30 -95.29 1.19 54.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.441 -1.035 . . . . 0.0 110.217 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.43 76.25 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.05 -1.031 . . . . 0.0 110.614 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -142.16 162.2 36.07 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -1.218 . . . . 0.0 108.088 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.69 121.2 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.376 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 63.8 m-20 -91.32 155.7 18.32 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.75 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -45.67 -52.9 22.02 Favored Pre-proline 0 C--N 1.3 -1.579 0 O-C-N 121.437 -0.789 . . . . 0.0 112.048 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.56 -33.26 96.97 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.898 1.356 . . . . 0.0 111.419 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.59 -43.36 94.09 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -61.66 -45.17 95.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.65 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.26 -40.5 82.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.476 -0.765 . . . . 0.0 109.977 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 109.495 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.3 -41.71 93.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.872 -1.142 . . . . 0.0 110.303 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.71 -24.33 49.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.933 -1.104 . . . . 0.0 108.946 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' A' ' 80' ' ' ASP . 55.8 ttp180 -53.48 -21.76 6.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.317 -0.865 . . . . 0.0 109.278 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 27.7 ttpp -58.31 -42.49 86.79 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.35 -41.58 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.049 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -73.73 -20.12 60.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 109.233 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 68.1 m-20 54.39 35.39 22.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.556 -0.715 . . . . 0.0 110.603 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.8 m -70.12 -41.57 73.78 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.852 -1.155 . . . . 0.0 109.267 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' A' ' 74' ' ' ARG . 97.0 m-20 -109.2 -15.07 14.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 109.271 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -49.04 -36.55 18.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.29 -38.71 90.41 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.884 -1.135 . . . . 0.0 109.011 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.81 -46.08 90.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.475 -0.766 . . . . 0.0 111.68 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.72 -25.22 65.55 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.558 -1.339 . . . . 0.0 111.564 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mt -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.135 -0.978 . . . . 0.0 108.946 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -68.51 -39.65 81.16 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.542 -1.349 . . . . 0.0 110.951 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.06 -37.53 78.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.779 -1.2 . . . . 0.0 110.184 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.12 62.97 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.155 -0.966 . . . . 0.0 109.578 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.2 t80 -57.58 -39.17 76.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.029 -1.044 . . . . 0.0 108.411 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -63.36 -40.6 97.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 110.457 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.39 -41.93 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.278 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -71.45 -40.15 70.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.206 -0.934 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -82.09 85.71 6.71 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.96 -1.088 . . . . 0.0 110.302 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.72 -43.55 93.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.52 -0.738 . . . . 0.0 112.018 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.1 p-10 -69.13 -27.83 65.92 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.749 -1.219 . . . . 0.0 111.511 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.4 16.06 80.07 Favored Glycine 0 N--CA 1.488 2.155 0 C-N-CA 119.412 -1.375 . . . . 0.0 110.256 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.553 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 48.0 p-10 -74.58 -4.5 37.4 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.782 -1.422 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.31 -5.22 84.27 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.553 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.4 m-85 -132.68 136.96 46.76 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.59 130.92 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.336 -1.477 . . . . 0.0 109.732 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -102.01 165.37 11.21 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.333 -0.854 . . . . 0.0 109.986 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.16 94.05 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.386 -0.821 . . . . 0.0 112.872 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.54 84.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 119.951 -1.718 . . . . 0.0 109.551 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 78.4 mt-10 -62.71 -40.7 97.97 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.221 -0.924 . . . . 0.0 111.961 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.9 -37.21 85.5 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.952 -1.093 . . . . 0.0 111.235 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -67.29 -35.71 80.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.825 -1.172 . . . . 0.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -57.27 -58.29 8.87 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 121.324 -0.86 . . . . 0.0 113.024 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -39.28 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.63 -38.71 91.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 110.342 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.3 m -65.84 -40.56 91.86 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.233 -0.917 . . . . 0.0 110.643 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.0 -21.7 66.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.035 -1.04 . . . . 0.0 110.488 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.76 10.67 38.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.66 19.59 78.99 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.99 -1.1 . . . . 0.0 110.374 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -111.85 143.65 42.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.493 -1.004 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -157.81 132.61 8.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.871 . . . . 0.0 109.828 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.46 -171.86 2.12 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 72.3 p -100.82 162.22 13.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.159 -0.963 . . . . 0.0 109.139 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.53 -39.56 84.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 110.065 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.19 -41.79 97.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.066 -1.021 . . . . 0.0 109.048 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.414 ' H ' ' HG1' ' A' ' 117' ' ' THR . 74.6 mm-40 -63.71 -43.68 95.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.894 . . . . 0.0 109.931 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.08 -36.5 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.59 -43.63 97.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.084 -1.01 . . . . 0.0 109.994 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.21 -38.42 89.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.4 mtt -61.03 -40.87 95.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 109.726 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.33 -43.7 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.037 -1.039 . . . . 0.0 108.576 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.51 -45.37 94.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.094 -1.004 . . . . 0.0 111.044 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.06 -38.9 89.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.964 -1.085 . . . . 0.0 111.25 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 -1.12 57.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.985 -1.072 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.53 82.0 5.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.897 -1.127 . . . . 0.0 110.49 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -45.69 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p-10 -76.0 -25.69 55.99 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.926 -1.109 . . . . 0.0 108.959 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.32 20.65 60.06 Favored Glycine 0 N--CA 1.482 1.74 0 C-N-CA 119.342 -1.409 . . . . 0.0 109.733 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 53.9 p-10 -81.06 -5.25 57.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -1.196 . . . . 0.0 110.146 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.1 83.38 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.758 -1.211 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -137.42 157.95 45.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 108.46 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.43 124.26 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.042 -1.036 . . . . 0.0 109.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.635 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 178.79 4.38 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.639 0.733 . . . . 0.0 109.891 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.0 m-85 -58.41 -40.34 82.2 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.33 -51.76 68.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.439 -0.788 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 90.9 mt-10 -65.77 -39.8 91.38 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 120.84 -1.163 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.57 -49.11 77.99 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.689 -0.632 . . . . 0.0 110.356 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -72.19 -44.46 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 O-C-N 119.969 -1.707 . . . . 0.0 108.609 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -62.32 -40.21 95.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.332 -0.855 . . . . 0.0 110.213 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.6 ttt . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.365 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -108.53 156.67 19.23 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.567 0.699 . . . . 0.0 110.674 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.91 -39.56 90.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.951 -1.093 . . . . 0.0 110.147 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.31 -40.37 93.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.759 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.85 -38.84 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.701 -1.249 . . . . 0.0 109.76 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.98 71.16 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.832 -1.167 . . . . 0.0 110.003 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.88 -1.137 . . . . 0.0 110.07 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -86.94 -18.71 30.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.875 -1.141 . . . . 0.0 109.713 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -42.81 96.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.822 -1.174 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -43.27 97.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.948 -1.095 . . . . 0.0 108.948 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.38 80.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.242 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.76 -45.9 85.28 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.301 -0.875 . . . . 0.0 111.296 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.69 -21.82 66.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.906 -1.121 . . . . 0.0 111.636 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -41.15 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.59 -1.319 . . . . 0.0 110.107 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.03 -37.23 75.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.104 -0.998 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 53.4 t0 -82.81 82.2 8.22 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.696 -1.253 . . . . 0.0 109.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.68 -24.63 67.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.231 -0.918 . . . . 0.0 109.756 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.21 -30.0 71.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.0 110.455 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.1 5.88 87.3 Favored Glycine 0 N--CA 1.495 2.594 0 O-C-N 120.325 -1.484 . . . . 0.0 110.101 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -88.33 3.6 49.15 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.382 -1.069 . . . . 0.0 110.04 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.57 87.52 Favored Glycine 0 N--CA 1.489 2.174 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.246 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.19 151.33 49.61 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -1.129 . . . . 0.0 109.07 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.61 129.28 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 74.7 p -105.51 157.0 17.68 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.823 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.8 p -54.6 -35.34 63.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.352 -0.842 . . . . 0.0 110.192 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' OG1' ' A' ' 34' ' ' THR . 64.7 tttp -66.46 -41.03 89.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.196 -0.94 . . . . 0.0 109.959 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 39.2 mt-10 -65.89 -41.8 91.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.0 111.594 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.56 5.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.988 -1.07 . . . . 0.0 110.451 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.76 -40.18 96.29 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.01 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 89.7 m -60.11 -46.61 89.05 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.064 -1.257 . . . . 0.0 109.546 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.98 -40.03 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.772 -1.205 . . . . 0.0 109.61 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 50.6 ttp -64.56 -34.85 79.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.758 -1.214 . . . . 0.0 108.884 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.64 -34.18 69.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -0.798 . . . . 0.0 109.525 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -56.64 -35.74 68.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.145 -0.972 . . . . 0.0 109.558 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' CB ' ' NE2' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -69.03 22.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.017 -1.052 . . . . 0.0 108.861 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.608 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.09 42.77 91.7 Favored Glycine 0 N--CA 1.485 1.931 0 O-C-N 121.085 -1.009 . . . . 0.0 110.773 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 36' ' ' MET . 33.5 mt-30 -115.72 154.03 30.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.998 . . . . 0.0 109.649 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -141.76 69.41 24.79 Favored Pre-proline 0 C--N 1.295 -1.784 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.04 161.78 35.28 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.762 2.308 . . . . 0.0 112.607 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.6 p -104.21 166.56 10.33 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.706 0.765 . . . . 0.0 109.814 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.22 -45.0 92.27 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.721 -0.612 . . . . 0.0 110.262 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.33 -39.47 93.17 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.03 -1.044 . . . . 0.0 110.186 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.5 -46.04 87.93 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.812 -1.18 . . . . 0.0 109.939 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.94 -37.53 84.48 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.4 -0.812 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -59.29 -46.48 88.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.913 -1.117 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.96 -44.44 94.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.136 -0.977 . . . . 0.0 110.393 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mtp -58.78 -57.14 14.32 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.92 -1.112 . . . . 0.0 110.658 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.95 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 110.295 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -58.08 -36.78 73.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.373 -0.829 . . . . 0.0 110.639 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.99 -18.78 59.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 111.763 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.35 26.19 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.049 -1.032 . . . . 0.0 111.46 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -89.77 100.26 13.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.71 -1.244 . . . . 0.0 108.609 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.15 -22.88 18.18 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.067 -1.021 . . . . 0.0 110.463 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 22.9 p30 -90.84 -10.67 41.87 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.989 -1.069 . . . . 0.0 109.15 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.69 24.57 69.78 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.527 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.9 p30 -95.9 1.04 52.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.329 -1.1 . . . . 0.0 110.115 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.04 20.26 76.18 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.032 -1.042 . . . . 0.0 110.511 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.421 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.6 160.93 39.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.13 -1.218 . . . . 0.0 108.082 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.9 mt -100.4 121.41 51.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.4 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.5 m-20 -91.22 155.18 18.77 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.905 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -45.03 -52.72 18.57 Favored Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 111.958 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.27 -34.43 98.03 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 CA-C-N 120.843 1.337 . . . . 0.0 111.415 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.25 -43.63 94.29 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.72 -45.3 94.55 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 0.0 110.608 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.66 -39.45 77.1 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.802 0.811 . . . . 0.0 109.779 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.79 -42.68 94.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.832 -0.543 . . . . 0.0 109.764 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.26 -41.26 97.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.97 . . . . 0.0 109.377 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.92 -42.35 93.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.044 -1.035 . . . . 0.0 110.378 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.88 -24.12 48.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.773 -1.204 . . . . 0.0 109.008 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -54.94 -21.65 12.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.846 . . . . 0.0 109.796 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -58.31 -42.45 86.72 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.4 OUTLIER -61.73 -39.77 92.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 109.267 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.93 -39.31 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.117 -0.989 . . . . 0.0 109.58 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.436 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 15.6 t0 67.39 55.78 0.64 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.849 -0.532 . . . . 0.0 109.721 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -77.2 0.56 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 81' ' ' SER . 58.4 p30 -81.47 -14.12 57.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.869 -1.144 . . . . 0.0 108.613 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 95.9 p -48.35 -29.25 3.76 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.74 -41.14 99.05 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.068 -1.02 . . . . 0.0 108.286 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 80' ' ' ASP . 88.3 tt0 -63.91 -46.11 86.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.51 -0.744 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 20.1 mp0 -68.77 -36.87 78.86 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.096 -1.002 . . . . 0.0 110.401 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.97 -42.78 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.131 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.95 -37.34 85.76 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 120.838 -1.164 . . . . 0.0 109.777 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.44 -38.93 93.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.963 -1.086 . . . . 0.0 109.626 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -28.16 38.09 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.12 -0.987 . . . . 0.0 109.09 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -56.28 -39.22 72.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.49 -36.77 83.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.537 -0.727 . . . . 0.0 109.853 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.7 -39.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.765 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.12 -40.21 71.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.197 -0.94 . . . . 0.0 109.787 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 29.0 t0 -82.57 82.21 8.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.018 -1.051 . . . . 0.0 110.095 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.92 -42.5 97.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.369 -0.832 . . . . 0.0 111.346 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.7 p-10 -68.51 -26.62 65.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.92 -1.112 . . . . 0.0 110.905 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.81 16.37 80.82 Favored Glycine 0 N--CA 1.488 2.103 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.07 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.6 p-10 -70.46 -5.37 28.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.896 -1.355 . . . . 0.0 108.795 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.48 2.18 82.73 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 60.1 m-85 -137.92 144.68 41.4 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.26 129.07 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.631 -1.293 . . . . 0.0 109.596 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.0 p -106.29 166.01 10.84 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.02 0.914 . . . . 0.0 110.633 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.95 93.12 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.881 -0.512 . . . . 0.0 111.88 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.77 88.56 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 108.748 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.18 -41.14 96.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.158 -0.964 . . . . 0.0 109.689 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -41.16 90.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.748 . . . . 0.0 110.476 -179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 110' ' ' THR . 60.8 ttp180 -61.29 -39.41 90.32 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 109.937 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.28 -61.89 1.96 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.86 -40.79 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.19 -0.944 . . . . 0.0 109.529 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.18 -38.17 90.13 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.926 -1.109 . . . . 0.0 109.951 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 96.2 m -65.39 -40.35 93.33 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.256 -0.903 . . . . 0.0 110.991 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -64.58 -22.19 66.9 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.191 -0.943 . . . . 0.0 111.638 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.07 8.02 34.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.808 -1.183 . . . . 0.0 110.218 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.97 84.72 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -105.44 137.51 43.14 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.555 -0.967 . . . . 0.0 109.101 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -141.94 120.27 12.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.411 -0.806 . . . . 0.0 109.982 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.86 -177.78 3.22 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.4 p -101.28 162.32 12.98 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.251 -0.905 . . . . 0.0 109.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -38.83 79.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.12 -0.988 . . . . 0.0 109.922 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.1 -39.9 94.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.1 -1.0 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.23 -44.43 91.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.0 109.808 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.46 -37.33 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.66 -44.12 96.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.07 -1.019 . . . . 0.0 109.171 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.86 -38.24 90.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttt -58.54 -40.65 83.57 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 120.931 -1.106 . . . . 0.0 108.789 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.36 -44.68 97.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.397 -0.814 . . . . 0.0 109.361 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -61.26 -45.63 93.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.037 -1.04 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.33 -38.56 87.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.04 -1.038 . . . . 0.0 111.07 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.34 5.95 35.97 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.089 -1.007 . . . . 0.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -83.35 77.88 9.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.892 -1.13 . . . . 0.0 110.72 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -46.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.938 -1.101 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.2 p-10 -76.15 -25.9 55.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.005 -1.059 . . . . 0.0 109.222 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.53 19.71 61.5 Favored Glycine 0 N--CA 1.482 1.722 0 C-N-CA 119.232 -1.461 . . . . 0.0 109.913 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.0 p-10 -81.08 -8.52 59.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.11 -1.229 . . . . 0.0 110.515 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.46 -4.43 84.16 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.336 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.02 163.68 27.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.198 -1.178 . . . . 0.0 108.536 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -98.2 123.94 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.006 . . . . 0.0 108.412 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.33 -177.39 3.31 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.862 0.839 . . . . 0.0 110.613 -178.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.7 m-85 -59.09 -41.33 87.81 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.374 0.607 . . . . 0.0 109.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.22 -49.41 77.71 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.365 -0.834 . . . . 0.0 109.497 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' MET . 85.3 mt-10 -70.44 -41.0 73.44 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.449 -0.782 . . . . 0.0 109.704 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.75 -46.67 88.59 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.792 -0.568 . . . . 0.0 111.162 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.42 -45.27 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.058 -1.651 . . . . 0.0 107.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -73.8 -20.47 60.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.092 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.1 tmt? . . . . . 0 C--N 1.297 -1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.802 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.7 p -108.72 156.91 19.05 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.557 0.694 . . . . 0.0 110.548 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.99 -39.71 94.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.529 -0.732 . . . . 0.0 110.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mp0 -61.5 -38.67 88.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -61.25 -41.2 96.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.012 -1.055 . . . . 0.0 110.256 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.48 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.73 -1.232 . . . . 0.0 109.705 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.63 75.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.872 -1.142 . . . . 0.0 109.862 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.33 -43.11 99.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 0.0 110.395 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -87.18 -18.84 29.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.2 -43.08 96.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.854 -1.154 . . . . 0.0 109.15 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.47 -45.91 92.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.964 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.55 80.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 109.374 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -56.99 -45.39 83.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 0.0 111.139 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -63.23 -21.76 66.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.112 . . . . 0.0 111.858 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -42.08 87.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.404 -1.435 . . . . 0.0 110.032 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -69.8 -37.34 76.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.044 -1.035 . . . . 0.0 109.408 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 54.3 t0 -83.16 81.22 8.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.731 -1.231 . . . . 0.0 109.59 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.23 -22.95 66.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.22 -0.925 . . . . 0.0 109.851 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.02 -29.55 70.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.157 -0.964 . . . . 0.0 110.248 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.03 4.72 88.92 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 120.384 -1.447 . . . . 0.0 110.174 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.3 p30 -87.11 2.15 50.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.428 -1.042 . . . . 0.0 110.009 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.27 9.26 86.77 Favored Glycine 0 N--CA 1.49 2.249 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.442 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 73.4 p -136.38 150.48 48.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.195 -1.179 . . . . 0.0 109.116 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.34 129.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.425 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 66.7 p -107.91 157.27 18.34 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.238 0.542 . . . . 0.0 109.624 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -55.17 -34.59 63.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 34' ' ' THR . 65.0 tttp -65.82 -41.32 91.97 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.92 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 41.9 mt-10 -65.88 -42.53 90.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.453 -0.779 . . . . 0.0 111.722 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -55.32 8.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.013 -1.054 . . . . 0.0 110.417 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.16 96.1 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.319 -1.42 . . . . 0.0 109.871 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 91.9 m -59.73 -46.35 89.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.91 -1.347 . . . . 0.0 109.409 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.74 -39.92 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.643 -1.286 . . . . 0.0 109.738 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.2 ttp -64.94 -34.78 79.22 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.635 -1.291 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -57.48 -34.48 69.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.314 -0.866 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.649 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -54.29 -33.42 58.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 109.072 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 22.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.165 -0.959 . . . . 0.0 108.763 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 61.17 47.2 92.31 Favored Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -124.29 163.7 21.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.59 -0.947 . . . . 0.0 110.604 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 13.0 p30 -143.29 76.39 16.36 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.43 162.52 39.96 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.633 2.222 . . . . 0.0 112.923 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -105.67 168.39 9.14 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.803 0.811 . . . . 0.0 110.371 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -59.94 -42.91 95.02 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.804 -0.56 . . . . 0.0 110.208 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 110.12 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.13 -46.9 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.777 -1.202 . . . . 0.0 110.153 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.62 -40.41 92.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.135 -0.978 . . . . 0.0 109.685 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -63.11 -46.84 85.42 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.929 -1.107 . . . . 0.0 108.55 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.467 -0.77 . . . . 0.0 110.817 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -62.71 -51.89 65.4 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.012 -1.055 . . . . 0.0 110.628 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -37.77 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.951 -1.093 . . . . 0.0 110.663 -178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -56.68 -33.88 66.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.412 -0.805 . . . . 0.0 110.055 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.72 -19.22 48.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 111.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.65 25.32 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 O-C-N 121.076 -1.015 . . . . 0.0 111.635 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 68.3 t0 -90.29 103.45 16.13 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.609 -1.307 . . . . 0.0 108.712 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.32 -24.2 17.5 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.108 -0.995 . . . . 0.0 110.636 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.7 p30 -88.81 -9.54 51.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.88 -1.138 . . . . 0.0 109.02 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.35 24.17 68.91 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.64 1.03 55.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.413 -1.051 . . . . 0.0 109.796 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.11 18.75 76.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -141.9 161.2 38.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.17 -1.194 . . . . 0.0 107.895 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.1 mt -100.92 121.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 49.3 m-20 -89.45 153.78 20.56 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.051 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -48.06 -46.35 64.98 Favored Pre-proline 0 C--N 1.3 -1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 111.716 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.64 -37.21 81.22 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 CA-C-N 121.176 1.456 . . . . 0.0 110.903 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.95 -43.83 98.03 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.1 -43.85 98.25 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.569 0.699 . . . . 0.0 109.958 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.03 -40.74 85.95 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.819 0.818 . . . . 0.0 109.927 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -62.0 -45.08 95.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.743 -0.598 . . . . 0.0 109.438 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.39 -40.91 96.08 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.205 -0.935 . . . . 0.0 109.587 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.4 mmm -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.071 -1.018 . . . . 0.0 110.726 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.58 49.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.962 -1.086 . . . . 0.0 108.742 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.52 -26.63 61.65 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.591 -0.693 . . . . 0.0 109.511 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.29 -41.69 89.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -38.71 90.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 109.206 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -70.71 -16.11 62.76 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.005 -1.059 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 50.1 t0 56.62 53.16 8.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.301 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -67.97 0.82 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.199 -0.938 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.8 -17.07 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.886 -1.134 . . . . 0.0 108.818 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.444 ' OG ' ' OD1' ' A' ' 78' ' ' ASP . 89.8 p -49.23 -30.05 6.55 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -63.98 -36.84 85.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.989 -1.069 . . . . 0.0 109.337 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.95 -42.53 94.24 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.998 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.75 -24.68 62.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.779 -1.201 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.33 -47.48 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.07 -1.019 . . . . 0.0 108.981 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.49 -38.44 87.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.576 -1.327 . . . . 0.0 110.327 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.84 -36.88 84.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.006 -1.059 . . . . 0.0 109.832 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.31 63.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.201 -0.937 . . . . 0.0 109.845 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 28.5 t80 -57.74 -39.58 77.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.081 -1.012 . . . . 0.0 108.905 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -64.3 -40.24 95.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.391 -0.818 . . . . 0.0 110.578 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.57 -39.6 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 109.794 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.24 -41.97 66.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.422 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.65 86.39 6.99 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.867 -1.145 . . . . 0.0 110.25 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -77.12 -22.12 53.14 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.077 -1.015 . . . . 0.0 111.035 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 98.0 m-20 -68.52 -29.42 68.01 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.857 -1.152 . . . . 0.0 110.61 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.44 88.12 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.6 p-10 -68.83 -8.32 42.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 109.512 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.71 2.53 86.7 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.4 m-85 -135.81 144.96 46.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.8 mt -96.44 128.23 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 109.796 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -106.05 164.88 11.63 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.206 -0.934 . . . . 0.0 110.425 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.48 90.29 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.873 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.1 84.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.27 -1.518 . . . . 0.0 108.472 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.7 mt-10 -60.85 -41.28 95.55 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.108 -0.995 . . . . 0.0 109.754 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -42.11 86.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 110.881 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' OG1' ' A' ' 110' ' ' THR . 59.0 ttp180 -61.1 -38.63 86.99 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.636 -1.29 . . . . 0.0 110.07 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -64.65 -62.39 1.61 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.325 -0.859 . . . . 0.0 112.996 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.34 -40.25 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.027 -1.046 . . . . 0.0 109.491 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.75 -38.58 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 110.046 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.7 m -65.58 -40.29 92.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -0.929 . . . . 0.0 110.863 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.9 -22.52 66.96 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.069 -1.019 . . . . 0.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.3 mt -91.86 7.04 43.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.739 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.49 12.75 82.64 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -102.17 127.95 48.89 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.944 . . . . 0.0 109.168 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -137.8 118.88 14.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.518 -0.739 . . . . 0.0 109.418 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -113.18 -175.63 2.71 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -101.3 159.36 15.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.1 p-10 -57.36 -36.43 71.2 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.239 -0.913 . . . . 0.0 110.085 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -63.7 -39.84 95.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.25 -44.99 90.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.227 -0.92 . . . . 0.0 109.809 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.79 -37.85 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.06 -44.79 96.86 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.209 -0.932 . . . . 0.0 109.594 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -37.64 88.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.941 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 ttt -57.69 -40.14 78.76 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 120.942 -1.099 . . . . 0.0 108.478 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.31 -41.52 89.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.61 -42.8 98.18 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.387 -0.821 . . . . 0.0 111.315 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.42 -40.01 77.52 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.918 -1.114 . . . . 0.0 111.161 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.07 27.26 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.382 -0.824 . . . . 0.0 111.038 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.21 76.44 8.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.936 -1.103 . . . . 0.0 110.442 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.39 -47.3 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.977 -1.077 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.1 p-10 -75.94 -26.0 56.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.841 -1.162 . . . . 0.0 108.947 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.66 20.0 62.62 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.806 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 54.6 p-10 -80.22 -8.37 59.41 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.153 -1.204 . . . . 0.0 110.231 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.38 -4.61 85.39 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.363 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.1 mp0 -130.72 164.43 25.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -1.188 . . . . 0.0 108.71 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.5 124.03 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.28 -176.82 3.16 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.941 0.877 . . . . 0.0 110.607 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.594 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 9.5 m-85 -59.52 -41.3 89.63 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.59 -49.83 75.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.329 -0.857 . . . . 0.0 109.558 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' MET . 93.5 mt-10 -69.02 -41.89 77.13 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.283 -0.885 . . . . 0.0 109.736 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.98 -47.93 84.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.636 -0.665 . . . . 0.0 111.176 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.245 -1.534 . . . . 0.0 107.936 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -74.52 -21.92 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 111.124 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.5 tmt? . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.165 -0.959 . . . . 0.0 110.957 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p -108.34 157.28 18.52 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.664 0.745 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.74 -38.2 90.23 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.716 -0.615 . . . . 0.0 109.656 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.05 -35.18 77.83 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.301 -0.875 . . . . 0.0 110.743 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -59.07 -38.88 80.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.836 -1.165 . . . . 0.0 109.833 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -60.33 -38.14 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.587 -1.32 . . . . 0.0 108.448 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.93 74.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.33 -42.76 96.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.887 -1.133 . . . . 0.0 109.832 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.07 -13.83 46.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.063 -1.023 . . . . 0.0 108.869 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.99 -44.38 92.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.861 -1.149 . . . . 0.0 109.527 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.07 -46.0 89.37 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.296 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.69 74.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.486 -0.759 . . . . 0.0 110.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -57.49 -47.4 82.0 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.037 -1.039 . . . . 0.0 111.451 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -59.69 -37.06 77.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.852 -1.155 . . . . 0.0 111.389 -177.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -39.77 71.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.77 -1.206 . . . . 0.0 110.382 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -67.49 -39.98 85.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.622 -1.298 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -83.5 85.9 7.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.669 -1.269 . . . . 0.0 109.557 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.66 -34.84 76.43 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -23.98 67.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.107 . . . . 0.0 110.004 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 18.22 75.9 Favored Glycine 0 N--CA 1.497 2.749 0 O-C-N 120.553 -1.342 . . . . 0.0 110.113 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -91.45 4.79 51.65 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.306 -1.114 . . . . 0.0 109.863 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 8.21 87.91 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -135.75 148.22 48.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.335 -1.097 . . . . 0.0 109.143 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.8 mt -101.46 130.98 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -108.16 157.52 18.23 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.303 0.573 . . . . 0.0 110.221 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 p -55.26 -36.35 65.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.329 -0.857 . . . . 0.0 110.233 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 34' ' ' THR . 40.1 ttmt -64.73 -41.85 95.63 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.036 -1.04 . . . . 0.0 109.729 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -41.08 91.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 111.638 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -57.66 4.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.888 -1.133 . . . . 0.0 110.768 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.21 98.1 Favored Glycine 0 N--CA 1.485 1.944 0 C-N-CA 119.361 -1.4 . . . . 0.0 110.28 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 85.1 m -60.46 -46.64 89.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.978 -1.307 . . . . 0.0 109.422 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.57 -39.33 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 120.741 -1.224 . . . . 0.0 109.543 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.99 -34.06 77.54 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.901 -1.124 . . . . 0.0 108.81 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -58.02 -34.53 70.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.39 -0.819 . . . . 0.0 109.391 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.2 t -55.81 -37.26 68.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 109.362 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.502 ' CB ' HE21 ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.95 21.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.173 -0.954 . . . . 0.0 108.925 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.51 39.96 94.15 Favored Glycine 0 N--CA 1.483 1.806 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.502 HE21 ' CB ' ' A' ' 39' ' ' LEU . 36.6 mt-30 -112.38 154.66 25.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.565 -0.962 . . . . 0.0 109.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.9 p30 -141.64 69.46 25.42 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.548 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.61 160.85 37.73 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.739 2.292 . . . . 0.0 112.716 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.1 p -102.97 167.73 9.65 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.714 0.768 . . . . 0.0 109.764 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -59.98 -43.6 95.01 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.005 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.56 94.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.16 -0.962 . . . . 0.0 110.067 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.83 -45.85 87.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.137 . . . . 0.0 109.916 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.14 -38.62 85.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.61 -46.05 91.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.898 -1.126 . . . . 0.0 109.624 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -61.27 -43.78 98.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 110.547 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.46 -58.94 6.31 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -37.44 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.301 -0.874 . . . . 0.0 110.517 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.82 -36.7 72.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.26 -0.9 . . . . 0.0 110.76 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.68 -21.35 64.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.928 -1.108 . . . . 0.0 111.649 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 p -125.62 21.51 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.099 -1.001 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 68.0 t0 -88.45 100.67 13.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.805 -1.184 . . . . 0.0 108.807 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -24.25 17.43 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.254 -0.904 . . . . 0.0 110.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.515 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 28.5 p30 -91.62 -8.14 48.1 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.815 -1.178 . . . . 0.0 109.208 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.8 25.01 68.74 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.515 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.6 p30 -94.79 0.64 55.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.263 -1.139 . . . . 0.0 109.941 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.4 20.35 75.23 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -141.0 162.37 35.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -1.17 . . . . 0.0 108.135 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -102.33 123.49 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.835 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -98.87 160.8 14.01 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.262 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -52.12 16.0 Favored Pre-proline 0 C--N 1.301 -1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 111.548 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.61 -38.49 71.91 Favored 'Trans proline' 0 N--CA 1.488 1.201 0 CA-C-N 119.907 1.003 . . . . 0.0 111.147 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.39 -45.11 92.61 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.5 -47.67 80.76 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.502 0.668 . . . . 0.0 111.599 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.04 -38.02 81.54 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.973 0.892 . . . . 0.0 109.464 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -64.33 -42.74 96.14 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.6 ttp -64.64 -42.31 95.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.99 -1.069 . . . . 0.0 109.486 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.51 -40.92 93.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 110.401 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.57 50.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.177 . . . . 0.0 109.213 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.02 -20.11 22.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.39 -0.819 . . . . 0.0 110.287 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.6 -43.71 84.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.196 -0.94 . . . . 0.0 108.581 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.42 90.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.375 -0.828 . . . . 0.0 109.099 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -70.42 -24.63 62.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.001 -1.062 . . . . 0.0 109.482 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t0 58.05 55.36 5.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.286 -0.884 . . . . 0.0 110.106 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -69.77 0.74 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.139 -0.975 . . . . 0.0 109.784 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -87.03 -17.86 31.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.869 -1.144 . . . . 0.0 108.805 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -49.32 -33.74 14.0 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.13 -43.5 98.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.945 -1.097 . . . . 0.0 108.828 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.62 -39.85 91.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.42 -35.7 71.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.31 -42.74 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.61 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -67.42 -37.62 83.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.04 -39.31 93.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.969 -1.082 . . . . 0.0 109.885 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.99 -26.92 28.45 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.1 t80 -55.57 -39.81 71.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -64.99 -39.84 94.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.454 -0.779 . . . . 0.0 110.538 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -39.44 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -71.81 -40.24 69.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -83.59 82.24 8.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.967 -1.083 . . . . 0.0 110.524 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.42 -39.17 93.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.594 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.7 m-20 -67.42 -28.97 68.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.161 -0.962 . . . . 0.0 110.401 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 13.03 83.68 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 16.4 p-10 -68.83 -9.25 50.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.132 -1.217 . . . . 0.0 109.468 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.77 3.05 71.41 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.424 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.6 m-85 -139.48 144.04 37.79 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.63 129.47 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.013 -1.055 . . . . 0.0 109.486 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.3 p -106.04 165.7 11.03 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.97 0.89 . . . . 0.0 110.596 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.63 92.1 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.825 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.62 87.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.32 -1.488 . . . . 0.0 108.699 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 84.2 mt-10 -61.21 -40.94 95.86 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -40.02 92.86 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.434 -0.791 . . . . 0.0 110.426 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.462 ' O ' ' OG1' ' A' ' 110' ' ' THR . 60.6 ttp180 -62.07 -38.88 90.47 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.623 -1.298 . . . . 0.0 110.016 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -64.69 -61.19 2.34 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.277 -0.89 . . . . 0.0 112.484 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.49 -41.21 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.136 -0.978 . . . . 0.0 109.729 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.36 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.944 -1.097 . . . . 0.0 109.984 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 95.0 m -65.86 -40.29 91.54 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.175 -0.953 . . . . 0.0 111.011 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.42 -23.21 67.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.128 -0.982 . . . . 0.0 111.655 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.9 mt -87.35 8.86 22.57 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.676 -1.265 . . . . 0.0 110.1 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.33 11.1 84.63 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -105.32 138.81 40.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.626 -0.926 . . . . 0.0 109.091 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -143.58 120.4 11.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -0.797 . . . . 0.0 109.754 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.8 -177.1 3.05 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -100.79 162.14 13.11 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.302 -0.874 . . . . 0.0 109.034 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.45 -40.22 82.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.149 -0.969 . . . . 0.0 110.127 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.68 -39.8 92.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.13 -43.84 94.05 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -71.69 -37.61 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -60.47 -45.02 95.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.121 -0.987 . . . . 0.0 109.013 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.45 -36.68 84.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.87 -41.45 82.51 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.979 -1.076 . . . . 0.0 108.483 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.83 -41.51 92.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -59.8 -46.44 89.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 0.0 110.614 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.39 -39.03 85.59 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.097 -1.002 . . . . 0.0 111.644 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.22 -7.91 59.21 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.701 -1.249 . . . . 0.0 110.458 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.12 92.45 5.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.986 -1.071 . . . . 0.0 110.428 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.422 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -93.86 -45.13 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.285 -0.885 . . . . 0.0 111.722 -179.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p30 -94.32 -25.84 16.82 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.935 -1.103 . . . . 0.0 110.282 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.619 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 110.82 -113.25 3.42 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 107.559 -2.216 . . . . 0.0 107.559 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER 62.24 -20.06 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.056 -1.261 . . . . 0.0 110.283 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 81.17 3.86 90.59 Favored Glycine 0 N--CA 1.494 2.502 0 O-C-N 120.783 -1.198 . . . . 0.0 110.755 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.523 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 40.0 mt-30 -142.11 -178.56 5.77 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.062 -1.258 . . . . 0.0 109.317 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.07 126.58 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.82 176.61 5.08 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.987 0.898 . . . . 0.0 110.477 -178.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 5.7 m-85 -58.21 -38.81 77.52 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.19 -49.34 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.486 -0.759 . . . . 0.0 109.81 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 56.1 mt-10 -69.89 -39.81 76.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.357 -0.839 . . . . 0.0 109.207 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.66 -46.64 84.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.897 -0.502 . . . . 0.0 110.798 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.7 -43.44 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 O-C-N 119.939 -1.726 . . . . 0.0 108.039 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.02 -40.35 97.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.486 -0.758 . . . . 0.0 110.262 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 110.45 -179.061 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -108.39 155.74 20.22 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.689 0.756 . . . . 0.0 110.639 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -66.6 -40.8 89.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.604 -0.685 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -63.33 -38.72 92.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.164 -0.96 . . . . 0.0 110.455 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -39.88 91.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.059 -1.026 . . . . 0.0 109.944 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.83 -38.83 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.78 73.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.922 -1.111 . . . . 0.0 109.526 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.746 -1.221 . . . . 0.0 110.406 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.68 -21.23 28.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.78 -43.35 99.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.694 -1.254 . . . . 0.0 108.942 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.43 -46.31 89.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.12 86.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.944 . . . . 0.0 109.337 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.19 -45.49 87.49 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 111.054 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -59.76 -37.01 77.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.003 -1.061 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -41.46 68.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.676 -1.265 . . . . 0.0 110.207 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -67.8 -38.07 82.84 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.753 -1.217 . . . . 0.0 109.62 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -84.5 84.36 7.68 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.703 -1.248 . . . . 0.0 110.077 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.81 -26.77 68.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.125 -0.984 . . . . 0.0 110.391 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.15 -26.99 69.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.938 -1.101 . . . . 0.0 109.92 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.29 13.61 79.64 Favored Glycine 0 N--CA 1.496 2.672 0 O-C-N 120.529 -1.357 . . . . 0.0 110.357 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -93.92 5.83 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.298 -1.119 . . . . 0.0 109.84 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.78 11.99 84.91 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -137.2 148.5 46.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -1.105 . . . . 0.0 109.026 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -105.32 130.44 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -106.25 156.54 18.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -54.67 -36.33 64.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.261 -0.899 . . . . 0.0 110.201 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.6 tttm -65.46 -41.98 92.82 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.978 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.611 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -56.14 6.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.54 97.11 Favored Glycine 0 N--CA 1.486 2.027 0 C-N-CA 119.191 -1.48 . . . . 0.0 109.868 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 93.9 m -59.23 -47.34 85.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.756 -1.438 . . . . 0.0 109.518 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.76 -38.24 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.67 -1.269 . . . . 0.0 109.388 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.9 ttp -65.6 -35.89 82.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.019 -1.051 . . . . 0.0 109.217 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' NH2' ' N ' ' A' ' 34' ' ' THR . 68.1 mtm-85 -57.21 -30.65 64.74 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.189 -0.945 . . . . 0.0 109.264 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.1 t -56.85 -37.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 18.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.608 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.48 43.54 92.2 Favored Glycine 0 N--CA 1.488 2.108 0 O-C-N 121.289 -0.882 . . . . 0.0 111.385 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -113.05 153.92 27.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.353 -1.086 . . . . 0.0 110.038 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -140.0 68.61 35.25 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.65 164.45 25.79 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 123.168 2.578 . . . . 0.0 113.031 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 p -104.02 163.93 12.05 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.705 0.764 . . . . 0.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -59.77 -42.65 93.79 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.011 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.33 93.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.005 . . . . 0.0 110.298 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.11 -46.86 85.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.836 -1.165 . . . . 0.0 110.249 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.98 -36.69 80.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.179 -0.951 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.37 -47.58 84.89 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.942 -1.099 . . . . 0.0 109.882 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' OE2' ' A' ' 54' ' ' GLU . 67.0 t0 -60.0 -43.61 95.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.873 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.8 mtt -63.92 -53.69 46.45 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.127 -0.983 . . . . 0.0 110.67 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -38.83 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.422 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -59.7 -39.63 85.23 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.379 -0.826 . . . . 0.0 111.537 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 50' ' ' ASP . 87.9 mt-10 -61.29 -40.07 92.76 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.036 -1.04 . . . . 0.0 112.255 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.49 3.57 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.812 -1.18 . . . . 0.0 110.474 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -79.41 108.41 12.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.016 -1.053 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.37 -24.66 17.28 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 41.6 p30 -91.71 -5.31 53.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.807 -1.183 . . . . 0.0 109.648 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.88 27.25 66.54 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -92.34 -0.01 57.41 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.182 -1.187 . . . . 0.0 109.696 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.35 15.72 78.91 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.416 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.4 p -141.28 162.77 34.7 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -1.187 . . . . 0.0 108.061 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.56 121.78 54.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 39.0 m-20 -90.35 154.0 20.01 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.781 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -47.51 -47.44 59.48 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.221 -0.924 . . . . 0.0 111.684 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.72 -37.55 86.58 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 CA-C-N 121.02 1.4 . . . . 0.0 110.905 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.31 -44.28 96.87 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.84 -45.07 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.363 0.602 . . . . 0.0 109.973 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.0 -39.37 78.09 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.052 0.93 . . . . 0.0 109.088 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -61.55 -45.51 93.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.85 -40.27 96.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 109.832 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.211 -0.93 . . . . 0.0 111.255 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.78 50.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.838 -1.164 . . . . 0.0 109.692 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 78' ' ' ASP . 26.7 tpt180 -58.43 -33.32 69.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.484 -0.76 . . . . 0.0 110.512 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.93 -46.91 84.29 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 109.122 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.2 -37.97 78.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.931 . . . . 0.0 110.728 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.15 -6.28 48.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.851 -1.156 . . . . 0.0 110.051 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' ARG . 12.9 t0 -170.39 -178.95 2.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.982 -1.074 . . . . 0.0 109.704 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.25 82.61 2.02 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.497 0.665 . . . . 0.0 109.894 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.11 -0.99 57.89 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -77.03 5.98 7.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -57.17 -36.02 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.87 -41.23 97.61 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.36 -37.28 84.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.305 -0.872 . . . . 0.0 109.121 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.67 -47.91 87.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -68.05 -39.77 82.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.663 -1.273 . . . . 0.0 110.454 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -70.96 -37.48 72.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.918 -1.114 . . . . 0.0 110.299 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.75 74.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.351 -0.843 . . . . 0.0 110.727 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.1 t80 -57.43 -39.52 76.43 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.943 -1.098 . . . . 0.0 109.032 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.56 -40.05 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.562 -0.712 . . . . 0.0 110.284 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.87 -40.84 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.206 -0.934 . . . . 0.0 109.502 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.79 -41.81 64.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -0.852 . . . . 0.0 110.104 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 30.5 t0 -81.19 82.67 7.02 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.029 -1.044 . . . . 0.0 110.221 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.78 -42.98 94.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.451 -0.78 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.9 p30 -68.96 -27.01 65.34 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.85 -1.156 . . . . 0.0 110.945 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.86 16.58 80.36 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.449 -1.357 . . . . 0.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.525 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 44.1 p-10 -72.12 -5.31 34.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.958 -1.319 . . . . 0.0 108.953 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 -0.04 82.52 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.664 -1.775 . . . . 0.0 108.664 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 49.8 m-85 -135.66 143.27 45.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.53 128.09 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.605 -1.309 . . . . 0.0 109.427 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 p -105.53 166.75 10.22 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.88 0.848 . . . . 0.0 110.639 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.21 91.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.826 -0.546 . . . . 0.0 111.833 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.16 83.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.366 -1.459 . . . . 0.0 108.483 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -61.67 -40.93 96.68 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 0.0 110.098 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -41.31 84.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.425 -0.797 . . . . 0.0 111.369 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 81.7 mtp180 -64.09 -37.09 86.19 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.228 -1.545 . . . . 0.0 109.959 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -65.02 -60.6 2.85 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.87 . . . . 0.0 112.651 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.08 -40.19 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.012 -1.055 . . . . 0.0 109.508 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.8 mtp -62.48 -38.6 90.49 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.085 -1.009 . . . . 0.0 110.063 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.4 m -65.11 -40.23 94.24 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 110.832 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.36 -22.31 66.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.128 -0.982 . . . . 0.0 111.014 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.57 8.06 36.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.934 -1.104 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.13 14.02 82.28 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -104.42 136.08 44.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.54 -0.976 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -142.47 120.08 11.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.981 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.35 -176.74 2.97 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.5 p -101.2 162.78 12.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.202 -0.937 . . . . 0.0 109.209 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.2 -38.85 80.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.37 -40.12 95.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.076 -1.015 . . . . 0.0 109.418 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.09 -44.25 92.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.131 -0.981 . . . . 0.0 109.779 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.13 -37.87 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.97 -44.96 95.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.12 -38.11 89.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 109.679 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 ttt -58.79 -40.62 84.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.83 -44.01 89.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.261 -0.899 . . . . 0.0 109.252 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.73 -47.46 85.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.697 -1.252 . . . . 0.0 110.768 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.61 -39.91 73.49 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.995 -1.066 . . . . 0.0 112.021 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.75 -18.58 56.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 111.571 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -68.8 97.81 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.929 -1.107 . . . . 0.0 110.757 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.65 -46.51 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.9 p30 -72.16 -24.97 61.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 0.0 108.475 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.573 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 87.19 16.37 60.92 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 52.6 p-10 -80.56 -5.58 56.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.34 -1.094 . . . . 0.0 110.201 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.53 84.7 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.711 -1.233 . . . . 0.0 110.17 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -137.95 156.61 47.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 121.63 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.051 -1.031 . . . . 0.0 108.603 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.74 -177.07 3.26 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.966 0.888 . . . . 0.0 110.309 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.0 m-85 -60.68 -40.49 92.37 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.94 -50.81 72.29 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.342 -0.849 . . . . 0.0 109.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 87.6 mt-10 -68.08 -41.08 82.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.251 -0.906 . . . . 0.0 109.295 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.853 -0.529 . . . . 0.0 111.2 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.4 -39.48 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.288 -1.508 . . . . 0.0 108.664 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.05 -38.64 86.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.618 -0.676 . . . . 0.0 112.361 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.452 ' N ' ' HE2' ' A' ' 144' ' ' MET . 30.0 mmt . . . . . 0 N--CA 1.501 2.108 0 O-C-N 120.497 -1.377 . . . . 0.0 110.664 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -108.58 155.75 20.31 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.707 0.765 . . . . 0.0 110.345 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -37.24 84.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.706 -0.621 . . . . 0.0 109.633 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.21 -33.0 74.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.929 . . . . 0.0 109.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -58.33 -39.57 79.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.79 -37.57 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.776 -1.203 . . . . 0.0 108.614 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.11 75.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.952 -1.092 . . . . 0.0 110.481 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.67 -44.61 96.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 110.111 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.66 -13.51 45.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 108.885 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.26 -46.84 87.02 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.883 -1.136 . . . . 0.0 109.48 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -59.81 -47.18 86.74 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.227 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.34 86.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.309 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.44 -46.74 83.24 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.107 -0.996 . . . . 0.0 110.886 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -60.01 -39.42 85.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.038 -1.039 . . . . 0.0 111.238 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -42.04 70.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.729 -1.232 . . . . 0.0 110.489 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.09 -39.53 86.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.597 -1.315 . . . . 0.0 108.98 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 49.9 t0 -85.03 81.27 8.96 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.686 -1.259 . . . . 0.0 109.675 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -64.61 -22.89 67.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.938 . . . . 0.0 109.925 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.39 -30.74 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.102 -0.999 . . . . 0.0 110.465 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.68 5.78 86.49 Favored Glycine 0 N--CA 1.496 2.661 0 O-C-N 120.334 -1.478 . . . . 0.0 110.253 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -87.48 2.2 51.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.26 -1.141 . . . . 0.0 109.824 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.86 7.45 88.56 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.383 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 66.7 p -134.98 148.8 50.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.184 -1.186 . . . . 0.0 108.873 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.6 mt -101.23 130.02 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 79.8 p -107.31 157.9 17.57 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.437 0.637 . . . . 0.0 109.84 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -56.01 -34.54 65.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.8 tttt -66.31 -40.52 90.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.041 -1.037 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 37.0 mt-10 -66.06 -41.15 91.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.699 . . . . 0.0 111.976 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -56.39 6.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.079 . . . . 0.0 110.678 -177.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.55 93.9 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.289 -1.434 . . . . 0.0 110.282 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 86.0 m -59.22 -46.66 87.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.672 -1.487 . . . . 0.0 108.976 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.01 -40.12 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.767 -1.208 . . . . 0.0 110.169 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.5 ttp -64.78 -35.26 80.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.641 -1.287 . . . . 0.0 109.583 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -59.27 -29.19 67.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.159 -0.963 . . . . 0.0 109.403 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.638 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -58.01 -34.71 70.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.219 -0.926 . . . . 0.0 108.777 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 21.82 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 108.926 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.638 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 41.05 98.17 Favored Glycine 0 N--CA 1.483 1.803 0 O-C-N 120.976 -1.078 . . . . 0.0 110.669 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -119.96 157.13 29.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.601 -0.94 . . . . 0.0 109.373 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -142.27 74.27 20.81 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.512 -0.742 . . . . 0.0 109.823 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.24 162.37 34.01 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.652 2.234 . . . . 0.0 112.912 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -102.07 170.01 8.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.661 0.743 . . . . 0.0 110.113 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -60.1 -43.64 95.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.239 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.45 94.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.072 -1.017 . . . . 0.0 109.96 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.62 -46.72 84.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.704 -1.247 . . . . 0.0 109.957 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.12 -39.71 86.7 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.323 -0.86 . . . . 0.0 110.342 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.684 HE22 ' ND2' ' A' ' 53' ' ' ASN . 10.7 tm0? -64.99 -41.78 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.0 -1.062 . . . . 0.0 108.437 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -67.14 -42.33 84.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.494 -0.754 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.8 mtm -60.94 -50.28 74.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.056 -1.027 . . . . 0.0 110.654 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -33.0 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.934 -1.104 . . . . 0.0 109.985 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.684 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.1 m-20 -58.27 -26.49 63.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.001 -1.062 . . . . 0.0 110.34 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.19 -21.83 65.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.078 -1.014 . . . . 0.0 110.615 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.26 25.95 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.277 -0.889 . . . . 0.0 111.719 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -91.3 104.12 16.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.727 -1.233 . . . . 0.0 109.104 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.64 -24.04 18.04 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.128 -0.982 . . . . 0.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 30.5 p30 -92.19 -8.22 46.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.864 -1.148 . . . . 0.0 109.223 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.05 24.94 69.06 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p-10 -95.28 0.95 54.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.31 -1.112 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.98 22.04 75.65 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.8 p -140.73 161.24 38.24 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.12 125.07 61.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.831 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -99.89 160.19 14.5 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.609 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -53.01 11.96 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.571 -0.706 . . . . 0.0 111.631 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.63 -37.47 68.99 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 CA-C-N 120.216 1.113 . . . . 0.0 111.111 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.33 -45.17 92.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.2 -48.02 81.85 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.383 0.611 . . . . 0.0 111.71 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.72 -38.61 85.65 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 121.831 0.824 . . . . 0.0 109.545 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.5 m -62.26 -43.23 99.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.0 ttp -63.4 -39.79 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.158 -0.963 . . . . 0.0 109.563 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -60.27 -42.35 95.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.832 -1.168 . . . . 0.0 110.445 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.8 -23.63 45.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.814 -1.179 . . . . 0.0 108.785 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.64 -38.33 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.61 -0.681 . . . . 0.0 109.936 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.28 -41.17 88.27 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.7 mtm -62.22 -36.95 83.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.518 -0.739 . . . . 0.0 109.438 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.83 -2.59 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.851 -1.155 . . . . 0.0 110.193 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 53.62 43.9 30.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.997 -1.064 . . . . 0.0 110.069 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -93.74 91.38 6.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.31 -0.869 . . . . 0.0 108.737 179.656 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.1 t0 75.81 -34.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.78 -1.2 . . . . 0.0 108.242 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.553 ' H ' ' C ' ' A' ' 79' ' ' THR . 90.7 p -57.84 -21.19 41.29 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.1 pp20? -73.75 -35.92 65.08 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.705 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 88.5 tt0 -52.18 -29.8 24.01 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.607 -0.683 . . . . 0.0 109.95 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 26.8 mp0 -62.38 -15.47 48.93 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.38 -0.825 . . . . 0.0 109.506 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.429 HD11 HG21 ' A' ' 85' ' ' ILE . 60.0 mt -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.163 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -67.02 -37.6 84.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.73 -1.231 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.25 -39.69 93.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.766 -1.209 . . . . 0.0 109.743 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.84 34.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.125 -0.984 . . . . 0.0 109.596 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 26.8 t80 -59.33 -40.53 86.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.063 -1.023 . . . . 0.0 109.005 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.69 -39.92 95.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.604 -0.685 . . . . 0.0 110.434 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -74.02 -41.56 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.142 -0.974 . . . . 0.0 109.639 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.76 -40.78 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.07 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -83.08 84.77 7.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.993 -1.067 . . . . 0.0 110.462 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.25 -39.76 93.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.656 -0.653 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.66 -29.59 68.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.98 -1.075 . . . . 0.0 110.832 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.09 13.45 81.08 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.491 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 28.5 p-10 -71.33 -5.54 33.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.04 -1.271 . . . . 0.0 109.297 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.06 -1.81 80.79 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 108.439 -1.864 . . . . 0.0 108.439 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 65.7 m-85 -135.06 143.8 46.89 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.93 130.49 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.894 -1.129 . . . . 0.0 109.947 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -106.87 165.1 11.58 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.123 0.964 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.56 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.897 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.8 83.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.353 -1.467 . . . . 0.0 108.732 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 73.5 mt-10 -61.22 -40.18 93.04 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.248 -0.907 . . . . 0.0 110.196 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -38.08 85.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 111.461 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' OG1' ' A' ' 110' ' ' THR . 90.6 mtm180 -65.13 -35.75 82.09 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.163 -1.586 . . . . 0.0 110.252 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.21 -62.12 1.82 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.261 -0.899 . . . . 0.0 112.864 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.65 -39.97 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.013 -1.054 . . . . 0.0 109.069 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mtp -63.16 -39.3 94.27 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.996 -1.065 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.7 m -66.7 -40.54 88.52 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.139 -0.976 . . . . 0.0 111.478 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.0 -21.76 66.64 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.028 -1.045 . . . . 0.0 111.501 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -92.67 10.43 30.65 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.978 -1.076 . . . . 0.0 110.07 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.16 12.79 81.94 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -102.37 127.45 49.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.486 -1.008 . . . . 0.0 108.994 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -136.35 119.45 16.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.484 -0.76 . . . . 0.0 109.229 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -116.35 -177.12 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.41 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 72.9 p -101.25 161.86 13.31 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 109.24 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.8 p-10 -58.39 -37.46 75.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 110.253 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 70.7 mm-40 -62.97 -40.38 97.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 109.17 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.41 ' H ' ' HG1' ' A' ' 117' ' ' THR . 69.8 mm-40 -64.86 -43.75 91.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 109.675 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -72.61 -35.4 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.74 -43.21 94.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 109.291 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.91 -37.63 88.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.238 -0.914 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 mtt -53.05 -39.89 63.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.035 -1.041 . . . . 0.0 109.12 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -67.04 -41.66 87.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.405 -0.809 . . . . 0.0 109.825 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.13 -47.25 85.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.805 -1.185 . . . . 0.0 110.596 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.07 -41.41 95.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.125 -0.985 . . . . 0.0 111.925 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.88 -7.95 56.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.837 -1.164 . . . . 0.0 111.677 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.1 88.79 4.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.471 -1.393 . . . . 0.0 110.203 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.39 -44.73 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.621 -0.674 . . . . 0.0 111.412 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.9 p30 -78.1 -23.38 47.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.049 . . . . 0.0 109.125 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.57 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.91 23.89 58.85 Favored Glycine 0 N--CA 1.482 1.756 0 C-N-CA 119.532 -1.318 . . . . 0.0 109.824 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 44.5 p30 -78.12 -11.19 59.9 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.378 -1.072 . . . . 0.0 110.417 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.85 -11.18 71.3 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.0 mp0 -130.83 162.68 29.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.28 -1.13 . . . . 0.0 108.604 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -98.29 123.8 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.2 -178.86 3.72 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.893 0.854 . . . . 0.0 110.56 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.1 m-85 -59.42 -39.86 84.82 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.63 -50.54 73.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.449 -0.782 . . . . 0.0 109.839 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.71 -40.76 84.27 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.099 -1.001 . . . . 0.0 109.245 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -63.5 -47.22 82.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.8 -0.563 . . . . 0.0 110.987 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.53 -42.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.469 0 O-C-N 119.864 -1.772 . . . . 0.0 107.971 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -62.9 -39.78 95.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.423 -0.798 . . . . 0.0 110.244 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.121 -0.987 . . . . 0.0 110.47 -179.133 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 p -107.33 156.8 18.51 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.933 0.873 . . . . 0.0 111.36 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.67 -35.72 76.94 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.282 0.563 . . . . 0.0 109.756 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.91 -39.7 86.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 0.0 109.952 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -63.03 -42.51 99.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.063 . . . . 0.0 110.216 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.07 -45.8 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.661 -1.274 . . . . 0.0 109.925 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.19 -43.3 99.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.932 -1.105 . . . . 0.0 110.775 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -87.9 -27.19 22.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.119 . . . . 0.0 110.658 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.52 -44.98 95.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.967 -1.083 . . . . 0.0 109.238 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.42 -46.88 88.44 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.862 . . . . 0.0 109.031 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -34.58 73.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 80.0 t80 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.169 -0.957 . . . . 0.0 111.537 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -59.67 -36.7 76.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.896 -1.127 . . . . 0.0 111.116 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -40.95 72.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.707 -1.246 . . . . 0.0 110.127 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -66.09 -40.01 90.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.781 -1.199 . . . . 0.0 109.314 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 26' ' ' THR . 52.7 t0 -84.64 80.99 9.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.621 -1.3 . . . . 0.0 109.712 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.08 -20.86 64.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 109.177 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -63.14 -27.52 69.43 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.581 -0.699 . . . . 0.0 109.878 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 9.28 68.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -92.77 4.02 54.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -1.165 . . . . 0.0 109.758 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 10.53 86.21 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.9 p -135.87 146.85 47.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.354 -1.086 . . . . 0.0 108.844 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -104.33 129.45 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.783 0.801 . . . . 0.0 108.997 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -105.58 157.37 17.44 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -54.64 -36.19 64.29 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.9 tttm -66.42 -40.7 89.7 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.051 -1.031 . . . . 0.0 110.057 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.8 -42.03 91.18 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.274 -0.891 . . . . 0.0 111.186 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -55.06 9.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.94 -40.42 96.87 Favored Glycine 0 N--CA 1.486 1.974 0 C-N-CA 119.264 -1.446 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 93.1 m -58.78 -46.51 87.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.667 -1.49 . . . . 0.0 109.2 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.3 -39.96 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.671 -1.268 . . . . 0.0 109.887 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 ttp -65.14 -37.59 87.91 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.598 -1.314 . . . . 0.0 109.205 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.48 -34.39 72.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.0 109.092 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.663 ' C ' ' H ' ' A' ' 40' ' ' GLY . 39.9 t -49.82 -34.89 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.196 -0.94 . . . . 0.0 108.775 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 20.54 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.663 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.32 46.55 94.08 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -119.21 166.16 13.31 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.998 0.904 . . . . 0.0 110.562 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -140.36 76.97 24.9 Favored Pre-proline 0 C--N 1.299 -1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -74.77 159.86 41.57 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.83 2.353 . . . . 0.0 112.736 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.9 p -106.93 164.78 11.84 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.827 0.822 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.49 -42.81 92.97 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.234 0.54 . . . . 0.0 110.151 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.76 93.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.79 -46.77 74.21 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 110.172 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.88 -40.4 87.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.191 -0.943 . . . . 0.0 110.176 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -63.81 -44.35 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.902 -1.124 . . . . 0.0 108.841 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.53 -39.77 92.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.491 -0.756 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.0 -58.67 6.54 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 110.961 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -37.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.466 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -58.49 -37.97 76.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.374 -0.829 . . . . 0.0 111.279 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.95 -16.72 32.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.919 -1.113 . . . . 0.0 111.154 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 p -134.98 25.11 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.116 -0.99 . . . . 0.0 111.846 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.5 t0 -87.33 99.78 12.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.588 -1.32 . . . . 0.0 108.802 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.23 -24.59 17.42 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.335 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.532 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 31.4 p30 -89.18 -11.11 44.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.921 -1.112 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 65.16 24.22 70.28 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 p-10 -95.77 0.87 52.87 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.361 -1.082 . . . . 0.0 110.004 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.27 21.3 75.75 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.513 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.5 p -141.31 162.25 35.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.125 -1.22 . . . . 0.0 107.974 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.6 mt -102.84 122.79 55.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.316 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 m-20 -92.47 157.76 16.39 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -49.83 -46.46 80.6 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 120.956 -1.09 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.1 -39.44 69.59 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 CA-C-N 120.867 1.345 . . . . 0.0 111.23 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.32 -43.9 97.76 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 35.2 t80 -61.58 -44.54 96.83 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.29 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -58.73 -39.98 82.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.988 0.899 . . . . 0.0 109.682 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -64.63 -42.78 95.25 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.854 -0.529 . . . . 0.0 109.681 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.04 -41.65 98.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.126 -0.983 . . . . 0.0 108.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.26 -41.88 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 110.645 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.32 -26.44 52.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.77 -1.206 . . . . 0.0 108.584 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.44 -43.49 96.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.384 -0.823 . . . . 0.0 109.515 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 ttp -60.19 -44.78 94.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.614 -0.679 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 87.3 tttt -61.73 -38.8 89.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.015 . . . . 0.0 109.267 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 6.9 t70 83.71 61.57 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.301 0.572 . . . . 0.0 109.792 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -73.57 0.68 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.328 -0.857 . . . . 0.0 109.237 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 81' ' ' SER . 55.4 p-10 -73.96 -17.43 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.205 . . . . 0.0 108.682 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.7 m -53.03 -28.08 22.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.618 -0.676 . . . . 0.0 109.532 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.5 -42.26 91.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.059 . . . . 0.0 108.35 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.39 -38.09 88.95 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.723 -0.611 . . . . 0.0 109.69 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.7 -18.34 61.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.389 -0.819 . . . . 0.0 110.519 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -61.28 -45.25 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.965 -1.084 . . . . 0.0 109.291 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -65.89 -39.57 90.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.285 . . . . 0.0 110.978 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.82 -37.12 81.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.005 -1.059 . . . . 0.0 110.586 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.07 72.67 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.244 -0.91 . . . . 0.0 110.381 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 34.4 t80 -58.05 -38.16 75.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.833 -1.167 . . . . 0.0 109.043 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -63.65 -37.24 86.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.542 -0.724 . . . . 0.0 109.58 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.41 -41.61 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.025 -1.047 . . . . 0.0 109.518 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -71.26 -41.54 69.93 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.564 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -84.6 87.26 7.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.01 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 64.0 tttm -66.41 -39.66 89.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.743 -0.598 . . . . 0.0 111.071 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.31 -29.38 68.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.997 -1.064 . . . . 0.0 110.92 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.28 13.4 82.84 Favored Glycine 0 N--CA 1.488 2.135 0 C-N-CA 119.42 -1.372 . . . . 0.0 109.834 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 33.0 p-10 -73.09 -5.54 39.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.955 -1.321 . . . . 0.0 109.467 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.08 85.68 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 43.4 m-85 -133.38 136.94 45.62 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.1 mt -95.06 124.19 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 110.514 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.8 p -95.09 167.51 11.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.272 -0.892 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.71 96.6 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.76 -0.587 . . . . 0.0 112.129 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.3 90.55 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.409 -1.432 . . . . 0.0 109.289 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 43.3 tt0 -63.56 -42.76 98.33 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.603 -0.686 . . . . 0.0 111.864 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.26 -36.61 84.67 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.961 -1.087 . . . . 0.0 110.447 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.422 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.5 ttp180 -64.43 -38.91 92.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.86 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -57.48 -58.56 7.74 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.271 -0.893 . . . . 0.0 112.644 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.57 -44.0 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.061 -1.025 . . . . 0.0 109.33 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 113' ' ' GLY . 97.8 mtp -66.11 -38.83 89.17 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.695 -1.253 . . . . 0.0 110.553 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 87.5 m -65.57 -50.09 66.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.996 -1.065 . . . . 0.0 110.299 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.49 -38.64 68.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.109 -0.994 . . . . 0.0 111.663 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.17 9.94 25.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.62 -0.675 . . . . 0.0 111.632 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -150.69 -96.03 0.14 Allowed Glycine 0 N--CA 1.489 2.217 0 C-N-CA 119.151 -1.5 . . . . 0.0 109.739 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 109' ' ' MET . 25.1 pt-20 -172.79 148.92 1.92 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.564 -1.551 . . . . 0.0 109.032 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -73.44 133.32 43.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.005 -1.059 . . . . 0.0 109.586 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -107.78 -167.99 1.32 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.401 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 59.7 p -100.83 158.99 15.56 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.857 -1.152 . . . . 0.0 108.883 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.99 -39.09 84.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.291 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -62.14 -40.83 97.27 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.911 -1.118 . . . . 0.0 109.048 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.401 ' H ' ' HG1' ' A' ' 117' ' ' THR . 66.0 mm-40 -62.58 -44.72 95.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.287 -0.883 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.66 -36.21 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 109.6 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -48.71 80.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.015 -1.053 . . . . 0.0 110.455 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.34 -38.35 89.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.14 -43.11 92.0 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.07 -1.019 . . . . 0.0 109.339 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.03 -38.69 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.254 -0.904 . . . . 0.0 109.078 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -59.5 -48.52 81.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.148 -0.97 . . . . 0.0 110.619 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.99 -43.63 82.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.162 -0.961 . . . . 0.0 112.085 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.37 60.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.204 -0.935 . . . . 0.0 111.515 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -68.38 98.78 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.829 -1.169 . . . . 0.0 110.233 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.77 -45.16 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.615 -0.678 . . . . 0.0 111.18 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p-10 -74.73 -25.38 59.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.066 -1.022 . . . . 0.0 108.666 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.17 19.33 59.19 Favored Glycine 0 N--CA 1.481 1.67 0 C-N-CA 119.444 -1.36 . . . . 0.0 109.908 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.2 p-10 -81.51 -4.98 57.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.241 -1.153 . . . . 0.0 110.072 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 -0.54 81.09 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -137.64 152.71 49.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.362 -1.081 . . . . 0.0 108.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 64.0 t -93.7 122.81 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.924 -1.11 . . . . 0.0 108.373 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.582 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.07 -179.28 3.89 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.748 0.785 . . . . 0.0 110.067 -177.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.4 m-85 -60.11 -38.87 84.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -59.87 -50.73 72.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.382 -0.824 . . . . 0.0 109.925 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 80.0 mt-10 -67.57 -39.68 84.89 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.064 0.935 . . . . 0.0 108.816 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -65.19 -45.22 85.73 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.288 -0.883 . . . . 0.0 110.89 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.47 -41.62 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.621 0 O-C-N 119.846 -1.784 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.5 -38.56 87.78 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.271 -0.893 . . . . 0.0 111.429 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.479 ' N ' ' HE2' ' A' ' 144' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.653 0 O-C-N 120.942 -1.099 . . . . 0.0 110.596 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.3 p -105.06 156.91 17.62 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.82 0.819 . . . . 0.0 110.227 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.63 -38.36 87.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.72 -0.613 . . . . 0.0 110.998 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.69 -40.99 96.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.914 -1.116 . . . . 0.0 110.448 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -62.98 -44.86 94.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.012 . . . . 0.0 111.29 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.13 -45.06 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.506 -1.371 . . . . 0.0 109.68 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.01 93.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.854 -1.154 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.06 -44.31 96.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.949 -1.094 . . . . 0.0 111.294 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CG ' ' SD ' ' A' ' 72' ' ' MET . 10.7 m-85 -88.19 -30.94 19.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.876 -1.14 . . . . 0.0 110.899 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.44 -44.69 95.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.908 -1.12 . . . . 0.0 109.29 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.41 -47.86 84.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.133 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.47 74.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.395 -0.816 . . . . 0.0 110.057 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.61 -46.26 84.32 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.112 -0.992 . . . . 0.0 111.633 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -59.43 -36.94 76.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.782 -1.199 . . . . 0.0 110.927 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -41.3 78.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.718 -1.239 . . . . 0.0 109.897 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -66.25 -40.32 90.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.187 . . . . 0.0 109.057 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.8 t0 -84.79 81.79 8.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.725 -1.234 . . . . 0.0 109.755 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.11 -23.83 67.47 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.057 -1.027 . . . . 0.0 110.269 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.052 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.14 10.53 78.33 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 120.541 -1.349 . . . . 0.0 110.26 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -91.63 3.18 55.64 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.35 -1.088 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.03 8.33 87.92 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 69.8 p -135.16 148.7 49.79 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.333 -1.098 . . . . 0.0 108.905 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -104.44 130.83 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.1 p -108.67 158.54 17.51 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.9 p -54.96 -35.77 64.62 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.228 -0.92 . . . . 0.0 110.209 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 34' ' ' THR . 39.8 ttmt -65.0 -41.55 95.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.767 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.85 -41.71 91.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.432 -0.793 . . . . 0.0 111.391 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -54.52 12.65 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.041 -1.037 . . . . 0.0 110.125 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.07 97.77 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.237 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 86.1 m -59.56 -46.08 89.96 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.901 -1.353 . . . . 0.0 109.827 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.43 -33.21 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.763 -1.211 . . . . 0.0 109.165 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 tpp -61.51 -32.82 72.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.969 -1.082 . . . . 0.0 109.783 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.43 -34.18 72.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.165 -0.96 . . . . 0.0 110.039 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.574 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -59.22 -37.46 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.16 -0.963 . . . . 0.0 108.706 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.8 11.38 0.14 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.403 -0.811 . . . . 0.0 108.818 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.36 36.87 93.22 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.569 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -114.36 159.36 20.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.479 -1.013 . . . . 0.0 109.632 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -141.53 69.9 26.03 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.56 159.99 47.64 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.471 2.114 . . . . 0.0 112.351 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.1 p -101.01 168.51 9.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.381 -0.824 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -59.63 -44.37 93.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.778 -0.576 . . . . 0.0 110.082 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.78 94.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 0.0 109.684 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.06 -46.32 81.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.908 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.64 -39.27 91.27 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.141 -0.974 . . . . 0.0 109.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -61.27 -44.8 96.65 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.98 -40.0 94.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.751 . . . . 0.0 109.763 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.53 -51.55 66.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.708 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.34 -38.0 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.17 -0.956 . . . . 0.0 110.7 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -57.78 -37.66 74.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.604 -0.685 . . . . 0.0 110.836 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 1.2 pp20? -61.3 -13.88 22.49 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.139 -0.976 . . . . 0.0 111.366 -178.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.86 25.78 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 121.07 -1.019 . . . . 0.0 111.701 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -90.66 103.45 16.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.495 -1.378 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.07 -25.61 17.11 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.582 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -91.75 -7.2 50.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.792 -1.192 . . . . 0.0 109.136 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 61.72 25.32 65.41 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -94.13 0.59 55.92 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -1.119 . . . . 0.0 109.895 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.02 20.81 76.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 p -141.4 162.58 35.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.188 -1.183 . . . . 0.0 107.945 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -106.17 123.19 60.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.571 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.53 160.1 14.67 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.064 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -49.8 -45.29 79.8 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 111.254 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 -38.49 46.89 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 120.838 1.335 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.82 -45.09 94.22 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 30.4 t80 -61.58 -45.68 93.07 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.538 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.6 -39.92 89.9 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.18 0.991 . . . . 0.0 109.265 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -61.4 -44.17 97.61 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.24 -37.93 87.29 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.527 ' SD ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 mtp -60.89 -41.45 96.08 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.65 54.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.984 -1.073 . . . . 0.0 108.76 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 42.1 ttm180 -60.94 -38.24 85.12 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.421 -0.799 . . . . 0.0 110.528 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 77' ' ' LYS . 63.4 tttm -58.68 -47.42 84.59 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.172 -0.955 . . . . 0.0 110.298 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ptm -65.78 7.24 0.27 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.745 -1.222 . . . . 0.0 109.547 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 75' ' ' LYS . 67.5 mttm -115.09 -122.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -163.27 95.01 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.261 -1.524 . . . . 0.0 110.205 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -148.81 -73.13 0.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.143 -0.973 . . . . 0.0 108.56 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.57 -1.78 58.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -49.25 -42.61 41.25 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.87 -40.73 87.93 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.853 -1.154 . . . . 0.0 109.586 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.22 -44.43 83.84 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.546 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.15 -36.98 69.49 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.822 -1.174 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 85' ' ' ILE . 77.3 mt -67.48 -44.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.068 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.76 -38.79 80.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.109 -0.994 . . . . 0.0 110.714 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -65.36 -38.8 91.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.005 -1.059 . . . . 0.0 109.91 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.4 72.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.447 -0.783 . . . . 0.0 110.484 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.637 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.9 t80 -58.73 -38.97 79.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.986 -1.071 . . . . 0.0 108.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -62.54 -39.83 94.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.565 -0.71 . . . . 0.0 110.523 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.42 -40.04 24.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.051 -1.031 . . . . 0.0 109.453 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.24 -40.49 81.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 63.4 t0 -78.9 83.2 5.03 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.099 -1.001 . . . . 0.0 109.996 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -71.08 -42.19 69.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.417 -0.802 . . . . 0.0 111.301 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 14.0 p-10 -68.4 -27.58 66.34 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.821 -1.174 . . . . 0.0 110.727 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.49 80.38 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.545 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.8 p-10 -71.55 -4.2 25.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.775 -1.427 . . . . 0.0 108.638 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.9 -1.32 86.81 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.7 m-85 -135.34 140.19 44.88 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -89.58 118.33 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.303 -1.498 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.431 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 89.1 p -94.0 170.55 9.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 110.937 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.71 86.41 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.6 -0.688 . . . . 0.0 112.421 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.14 95.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.584 -1.322 . . . . 0.0 111.002 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 101' ' ' SER . 10.6 pt-20 -69.9 -27.1 64.52 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 111.883 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 tt -69.84 -38.02 76.35 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.765 -1.209 . . . . 0.0 110.994 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.07 -35.34 79.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.052 -1.03 . . . . 0.0 111.268 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.59 -56.16 25.71 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.18 -0.95 . . . . 0.0 112.813 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.38 -39.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.057 . . . . 0.0 108.539 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.2 mtp -62.23 -38.25 88.48 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.964 -1.085 . . . . 0.0 110.26 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.9 m -66.09 -40.01 90.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.217 -0.927 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.19 -22.6 66.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.896 -1.127 . . . . 0.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.49 10.08 33.93 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.095 -1.003 . . . . 0.0 109.791 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.2 18.69 80.02 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.11 140.9 40.63 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.492 -1.005 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -154.26 130.22 10.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.755 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -118.49 -173.04 2.39 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.2 p -98.27 162.61 13.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.084 -1.01 . . . . 0.0 109.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.15 -39.48 86.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.051 -1.03 . . . . 0.0 110.297 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.65 -40.07 95.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.046 . . . . 0.0 109.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -43.2 95.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.874 . . . . 0.0 109.686 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.92 -37.97 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.7 -46.3 90.27 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.101 -0.999 . . . . 0.0 110.055 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.49 -38.58 91.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.096 -1.003 . . . . 0.0 110.467 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.77 -39.63 89.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 0.0 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -70.08 -41.54 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 120.965 -1.084 . . . . 0.0 109.45 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.41 -47.77 84.27 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.158 -0.964 . . . . 0.0 110.722 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.52 -40.63 69.99 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.916 -1.115 . . . . 0.0 111.902 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.44 61.86 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.834 -1.166 . . . . 0.0 110.612 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -71.22 106.06 3.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.81 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -45.94 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.683 -0.636 . . . . 0.0 111.219 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p30 -75.69 -23.69 56.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 108.809 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 84.18 19.89 60.01 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -75.64 -10.36 59.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.372 -1.075 . . . . 0.0 109.938 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.41 -11.05 71.09 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.7 mp0 -130.77 159.76 36.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.256 -1.143 . . . . 0.0 108.469 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 123.2 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.52 -178.0 3.47 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.874 0.845 . . . . 0.0 110.603 -177.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.637 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 m-85 -60.62 -40.31 91.43 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.36 -49.28 78.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.252 -0.905 . . . . 0.0 109.768 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.09 -39.85 78.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.439 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -41.96 77.13 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.799 -0.563 . . . . 0.0 111.981 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.6 t -65.47 -40.05 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 120.054 -1.654 . . . . 0.0 109.314 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -61.41 -37.67 84.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 111.353 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 mmt . . . . . 0 N--CA 1.498 1.957 0 O-C-N 120.774 -1.204 . . . . 0.0 110.662 -177.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -108.96 157.09 18.98 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.35 -39.86 95.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 110.607 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.0 -38.78 89.91 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.974 -1.079 . . . . 0.0 110.822 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.03 -40.49 95.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.895 -1.128 . . . . 0.0 110.446 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.72 -40.57 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.493 -1.379 . . . . 0.0 109.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.54 75.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 109.679 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.58 -43.42 98.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.989 -1.069 . . . . 0.0 110.164 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.68 -19.94 26.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.981 -1.074 . . . . 0.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.47 -43.26 99.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.646 -1.283 . . . . 0.0 108.986 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.45 -46.2 89.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.0 109.398 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.91 85.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.195 -0.941 . . . . 0.0 109.365 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.83 -46.03 85.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.224 -0.922 . . . . 0.0 111.193 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.72 -21.77 66.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.062 . . . . 0.0 111.768 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -41.65 91.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.514 -1.366 . . . . 0.0 110.221 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.0 -37.0 75.56 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.063 -1.023 . . . . 0.0 109.75 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.8 t0 -82.73 83.03 7.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.657 -1.277 . . . . 0.0 109.877 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.1 -27.23 68.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.185 -0.947 . . . . 0.0 109.824 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.28 -28.2 69.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.0 109.697 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.05 13.05 81.28 Favored Glycine 0 N--CA 1.497 2.71 0 O-C-N 120.608 -1.307 . . . . 0.0 110.238 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -90.65 3.46 54.11 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.287 -1.125 . . . . 0.0 110.044 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.03 8.67 87.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 79.6 p -135.96 149.54 48.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -1.114 . . . . 0.0 109.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -102.92 130.69 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -104.62 155.13 19.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.264 0.554 . . . . 0.0 109.568 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.0 p -56.64 -31.99 64.89 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.268 -0.895 . . . . 0.0 110.372 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' O ' ' OG1' ' A' ' 34' ' ' THR . 68.3 mttm -70.48 -39.05 74.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.975 -1.078 . . . . 0.0 109.615 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -41.42 92.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.275 -0.89 . . . . 0.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -55.8 7.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.066 -1.021 . . . . 0.0 110.348 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.3 -41.23 98.29 Favored Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.423 -1.37 . . . . 0.0 110.017 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -60.92 -47.06 88.14 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -1.2 . . . . 0.0 109.587 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.51 -37.99 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.657 -1.277 . . . . 0.0 109.345 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.0 ttp -63.98 -36.26 83.38 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.961 -1.087 . . . . 0.0 108.946 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -55.35 -34.83 64.59 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -58.33 -34.15 70.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -0.945 . . . . 0.0 108.774 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.04 19.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.428 -0.795 . . . . 0.0 108.903 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.609 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 37.49 94.52 Favored Glycine 0 N--CA 1.484 1.855 0 O-C-N 121.109 -0.994 . . . . 0.0 110.85 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.22 161.65 20.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.447 -1.031 . . . . 0.0 109.753 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -141.31 71.57 26.9 Favored Pre-proline 0 C--N 1.301 -1.535 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.58 154.03 57.2 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.322 2.681 . . . . 0.0 112.641 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -106.96 166.05 10.89 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.687 0.756 . . . . 0.0 109.777 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.97 -42.92 95.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.614 -0.679 . . . . 0.0 110.043 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.16 95.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.171 -0.955 . . . . 0.0 110.048 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.14 -47.21 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.784 -1.198 . . . . 0.0 110.383 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.41 -40.93 73.58 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.268 -0.895 . . . . 0.0 111.799 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -62.58 -50.14 72.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.427 -1.421 . . . . 0.0 109.942 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.53 -43.84 98.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 mmm -63.36 -51.24 66.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 111.099 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -38.57 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 110.717 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.49 -39.11 82.69 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.473 -0.767 . . . . 0.0 111.694 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.77 -38.01 83.82 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.063 -1.023 . . . . 0.0 111.843 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.82 4.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 120.927 -1.108 . . . . 0.0 110.72 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -79.91 108.29 13.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.875 -1.141 . . . . 0.0 109.246 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.99 -23.94 17.84 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.277 -0.889 . . . . 0.0 110.783 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 33.0 p30 -92.79 -4.24 53.36 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.927 -1.108 . . . . 0.0 109.285 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.93 27.92 62.79 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.2 p-10 -93.27 1.26 57.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.264 -1.139 . . . . 0.0 109.981 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.91 16.95 76.63 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.404 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -141.29 160.58 39.81 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.19 -1.183 . . . . 0.0 107.869 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.4 mt -101.81 120.95 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.227 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -88.58 152.24 21.97 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.431 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.6 t80 -44.41 -53.21 14.97 Favored Pre-proline 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 111.648 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.1 Cg_endo -58.06 -33.91 97.84 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 120.67 1.275 . . . . 0.0 111.502 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.81 -43.94 91.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.694 -1.254 . . . . 0.0 107.685 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.32 -45.54 94.02 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.598 0.714 . . . . 0.0 110.389 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.48 -39.68 80.62 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.007 0.908 . . . . 0.0 109.666 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.1 m -61.94 -45.22 94.64 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.71 -39.37 93.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.109 -0.994 . . . . 0.0 110.072 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.99 -42.7 90.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 110.959 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.75 49.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.904 -1.123 . . . . 0.0 108.908 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 78' ' ' ASP . 52.4 ttt85 -62.75 -40.95 98.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.403 -0.811 . . . . 0.0 109.893 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 78' ' ' ASP . 55.4 tptt -59.87 -45.21 93.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 tpp -58.52 -39.64 80.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 0.0 109.468 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -105.02 11.63 33.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.277 -0.889 . . . . 0.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 74' ' ' ARG . 35.7 t0 -169.28 -175.04 2.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.811 -1.18 . . . . 0.0 110.121 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.43 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -137.53 97.5 3.47 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.54 -0.725 . . . . 0.0 110.078 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.36 -1.88 57.49 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.3 p -75.14 2.32 11.09 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.87 -40.33 75.98 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.1 -39.45 86.72 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.39 -29.77 69.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.682 -0.637 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -58.71 -46.79 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -69.25 -39.53 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.521 -1.362 . . . . 0.0 110.611 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -69.56 -38.79 77.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.983 -1.073 . . . . 0.0 110.599 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.36 72.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.452 -0.78 . . . . 0.0 111.086 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 25.5 t80 -58.81 -39.08 80.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.558 -1.339 . . . . 0.0 109.114 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.54 -37.33 87.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.763 . . . . 0.0 110.114 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.62 -40.96 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.978 -1.076 . . . . 0.0 109.458 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -71.21 -40.68 70.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.2 t0 -80.57 83.84 6.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.018 -1.051 . . . . 0.0 110.197 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.3 -44.63 91.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.443 -0.785 . . . . 0.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p30 -68.91 -26.93 65.34 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.917 -1.114 . . . . 0.0 110.978 -178.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.559 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 73.22 17.12 78.64 Favored Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.604 -1.284 . . . . 0.0 109.958 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.7 p-10 -70.8 -5.72 32.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.957 -1.319 . . . . 0.0 108.762 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.18 -1.6 80.18 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 58.9 m-85 -134.41 141.69 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -96.71 128.94 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.0 109.419 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 p -106.61 165.81 11.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.941 0.877 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.95 88.5 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.884 -0.51 . . . . 0.0 111.606 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.96 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.381 -1.449 . . . . 0.0 108.508 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -61.58 -39.9 92.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.295 -0.878 . . . . 0.0 110.227 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -39.47 87.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.294 -0.879 . . . . 0.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 110' ' ' THR . 89.8 mtm180 -63.9 -37.57 87.9 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.423 -1.423 . . . . 0.0 110.167 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -63.54 -60.78 2.89 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.261 -0.899 . . . . 0.0 112.743 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.05 -40.2 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.77 -39.01 92.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 95.3 m -65.29 -40.24 93.59 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.333 -0.854 . . . . 0.0 110.762 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.17 -22.99 67.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.161 -0.962 . . . . 0.0 110.958 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.28 7.52 40.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.936 -1.103 . . . . 0.0 109.913 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.37 81.92 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.52 127.2 50.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.476 -1.014 . . . . 0.0 108.885 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -135.59 119.58 17.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 109.569 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.06 -177.2 3.07 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -101.11 163.69 12.16 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.173 -0.954 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.42 -41.5 85.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.279 -0.888 . . . . 0.0 110.533 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.74 -39.8 92.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.989 -1.07 . . . . 0.0 109.273 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -64.34 -42.78 96.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.277 -0.889 . . . . 0.0 109.664 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.7 t -71.9 -33.17 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.2 -38.84 80.89 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.233 -0.917 . . . . 0.0 109.323 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 77.2 mm-40 -61.2 -38.93 88.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.108 -0.995 . . . . 0.0 109.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.7 mtt -61.17 -42.27 98.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.002 . . . . 0.0 110.381 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.78 -46.04 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.031 -1.043 . . . . 0.0 110.045 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 123' ' ' GLU . 87.2 mtm180 -63.57 -40.79 97.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.881 -1.137 . . . . 0.0 111.389 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.73 -38.91 87.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 110.803 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.87 -0.11 57.37 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.134 -0.979 . . . . 0.0 111.094 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.3 85.71 5.77 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.82 -1.175 . . . . 0.0 109.984 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.49 -42.34 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.0 110.88 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.3 p30 -79.28 -25.19 42.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 0.0 109.361 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.572 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.36 20.15 67.45 Favored Glycine 0 N--CA 1.481 1.697 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.6 p-10 -78.16 -10.24 59.54 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.394 -1.062 . . . . 0.0 110.035 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.9 -9.46 77.2 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -132.49 166.26 22.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.318 -1.107 . . . . 0.0 108.651 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.61 124.19 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.61 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.49 -175.62 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.944 0.878 . . . . 0.0 110.341 -177.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.8 m-85 -62.75 -39.73 95.05 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.85 -50.99 71.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 109.659 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 79.7 mt-10 -66.22 -41.35 90.23 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 121.21 -0.931 . . . . 0.0 109.327 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -64.01 -47.1 81.63 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.688 -0.633 . . . . 0.0 110.552 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.73 -43.3 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 120.148 -1.595 . . . . 0.0 108.623 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.0 -37.51 87.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.787 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.7 ttp . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.057 -1.027 . . . . 0.0 110.712 -178.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -106.18 156.96 17.93 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.62 0.724 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.77 -39.4 88.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.648 -0.658 . . . . 0.0 110.355 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -58.65 -43.81 89.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.965 -1.084 . . . . 0.0 110.081 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -61.98 -45.58 92.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.117 -0.99 . . . . 0.0 111.313 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.89 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.318 -1.489 . . . . 0.0 109.61 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.44 91.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.988 -1.07 . . . . 0.0 110.537 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.67 -44.7 96.45 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.956 -1.09 . . . . 0.0 110.681 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -88.12 -28.35 21.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.021 -1.05 . . . . 0.0 110.557 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -62.91 -43.53 98.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.871 -1.143 . . . . 0.0 109.296 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.04 -46.74 88.54 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.755 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.41 68.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 0.0 110.087 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -58.36 -46.85 85.49 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.148 -0.97 . . . . 0.0 111.48 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.67 -36.82 77.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 111.046 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -40.76 73.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.728 -1.233 . . . . 0.0 109.933 -178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -66.36 -40.33 89.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.765 -1.209 . . . . 0.0 109.276 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 48.9 t0 -84.23 82.06 8.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.562 -1.336 . . . . 0.0 109.878 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.72 -25.17 68.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.899 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.64 -27.35 69.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.041 -1.037 . . . . 0.0 110.128 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.01 79.94 Favored Glycine 0 N--CA 1.497 2.754 0 O-C-N 120.475 -1.391 . . . . 0.0 110.567 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -92.19 3.6 55.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.213 -1.169 . . . . 0.0 110.162 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 7.01 88.97 Favored Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.201 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 70.6 p -134.76 149.1 50.38 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.35 -1.088 . . . . 0.0 108.873 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.3 mt -105.96 131.66 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.0 p -108.07 158.67 17.2 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.263 0.554 . . . . 0.0 110.033 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.6 p -55.98 -34.55 65.84 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.269 -0.894 . . . . 0.0 110.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 34' ' ' THR . 97.9 mttt -67.87 -39.75 83.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.964 -1.085 . . . . 0.0 109.795 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.5 -42.54 92.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 0.0 110.553 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 -53.15 16.97 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.241 -0.912 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.94 98.35 Favored Glycine 0 N--CA 1.486 2.009 0 C-N-CA 119.261 -1.447 . . . . 0.0 109.742 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 86.5 m -60.5 -46.41 90.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.365 . . . . 0.0 109.273 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.59 -37.78 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.76 -1.213 . . . . 0.0 109.051 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 ttt -62.26 -35.6 79.46 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.03 -1.044 . . . . 0.0 109.135 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.98 -37.34 76.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.402 -0.811 . . . . 0.0 109.724 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.586 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.0 m -59.6 -30.1 68.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.207 -0.933 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.37 16.83 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.322 -0.861 . . . . 0.0 108.881 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.01 33.23 86.67 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -113.6 160.31 18.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.603 -0.939 . . . . 0.0 109.505 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -140.3 69.99 33.44 Favored Pre-proline 0 C--N 1.296 -1.74 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.69 160.03 44.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 122.42 2.08 . . . . 0.0 112.21 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.0 p -104.47 168.73 8.9 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.743 0.782 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.62 -42.96 93.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.083 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.077 -1.014 . . . . 0.0 110.04 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.64 -45.27 87.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.91 -1.119 . . . . 0.0 110.123 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.83 -38.0 82.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.356 -0.84 . . . . 0.0 109.475 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -60.4 -47.43 86.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.252 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.05 -41.99 98.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.89 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.7 mtt -59.99 -50.72 72.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.997 -1.064 . . . . 0.0 110.705 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -36.81 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.966 -1.084 . . . . 0.0 110.766 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.81 -35.79 71.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.443 -0.786 . . . . 0.0 110.611 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.92 -19.61 52.71 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 111.382 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.26 27.7 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 121.059 -1.025 . . . . 0.0 111.704 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -92.23 101.93 14.43 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.686 -1.259 . . . . 0.0 108.777 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.07 -18.04 21.34 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 64' ' ' ASP . 64.1 m-20 -89.89 -14.65 33.81 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.888 -1.132 . . . . 0.0 108.547 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.55 18.85 68.35 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 107.71 -2.156 . . . . 0.0 107.71 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.13 1.67 54.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.632 -0.922 . . . . 0.0 110.293 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.91 22.49 75.74 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 60.1 p -140.68 160.6 39.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.235 -1.156 . . . . 0.0 108.107 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.2 122.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.375 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 65.7 m-20 -93.29 157.32 16.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.972 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 31.0 t80 -46.86 -51.55 38.26 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.7 -35.35 94.98 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 120.958 1.378 . . . . 0.0 111.515 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.18 -43.91 93.63 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.65 -43.98 97.83 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.24 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.43 -39.64 88.16 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.929 0.871 . . . . 0.0 109.717 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.92 -42.98 99.72 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttp -60.96 -40.65 94.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.208 -0.932 . . . . 0.0 109.005 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -40.37 91.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.085 -1.009 . . . . 0.0 110.272 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.67 55.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.971 -1.081 . . . . 0.0 108.83 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -57.73 -25.06 59.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.464 -0.773 . . . . 0.0 110.446 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.55 -45.5 81.19 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.132 -0.98 . . . . 0.0 109.061 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -63.74 -40.78 97.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.224 -0.923 . . . . 0.0 110.107 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.84 -37.85 73.18 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.146 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.1 t0 58.08 60.23 2.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.237 -0.914 . . . . 0.0 109.431 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -76.21 0.49 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.103 -0.998 . . . . 0.0 110.059 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.85 -24.62 24.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.842 -1.161 . . . . 0.0 109.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -54.3 -22.96 13.34 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.601 -0.687 . . . . 0.0 109.211 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.37 -46.24 86.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.1 -38.19 87.95 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.216 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -72.05 -23.39 61.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.275 -0.891 . . . . 0.0 110.198 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.37 -39.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -63.49 -37.37 87.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.767 -1.208 . . . . 0.0 110.214 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.4 -36.85 83.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.951 -1.093 . . . . 0.0 109.665 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.46 63.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.231 -0.918 . . . . 0.0 109.867 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 33.4 t80 -55.83 -37.95 69.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.007 -1.058 . . . . 0.0 109.201 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -65.24 -37.03 85.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.356 -0.84 . . . . 0.0 109.966 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -40.85 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.953 -1.092 . . . . 0.0 109.445 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -72.3 -41.7 66.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.44 -0.787 . . . . 0.0 109.855 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 29.6 t0 -81.47 83.81 6.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 110.035 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -65.14 -42.92 93.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.502 -0.749 . . . . 0.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.8 p30 -68.7 -26.91 65.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.957 -1.09 . . . . 0.0 110.945 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.27 14.77 81.61 Favored Glycine 0 N--CA 1.489 2.178 0 C-N-CA 119.462 -1.351 . . . . 0.0 109.817 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.7 p-10 -69.92 -5.68 27.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.977 -1.308 . . . . 0.0 108.705 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.77 2.81 81.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 36.4 m-85 -136.94 145.77 44.64 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.43 127.48 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.804 -1.185 . . . . 0.0 108.754 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 p -105.72 166.37 10.51 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.975 0.893 . . . . 0.0 110.705 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.75 88.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.871 -0.518 . . . . 0.0 111.398 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.5 86.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.434 -1.416 . . . . 0.0 108.643 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.54 -41.22 97.03 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -39.71 85.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.0 110.761 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.443 ' O ' ' OG1' ' A' ' 110' ' ' THR . 89.3 mtm180 -64.83 -37.21 86.84 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.437 -1.414 . . . . 0.0 110.167 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -65.07 -60.51 2.95 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.339 -0.851 . . . . 0.0 112.532 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.55 -40.51 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.055 -1.028 . . . . 0.0 109.29 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.23 -38.28 88.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.117 -0.99 . . . . 0.0 110.193 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.3 m -64.78 -40.25 94.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.223 -0.923 . . . . 0.0 110.742 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.25 -22.47 66.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.137 -0.977 . . . . 0.0 111.191 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.46 7.87 30.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.794 -1.191 . . . . 0.0 109.775 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.25 13.76 82.45 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -108.65 141.5 40.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.7 -0.883 . . . . 0.0 109.212 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.9 124.62 11.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.28 -176.86 3.0 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.7 p -100.88 163.67 12.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.157 -0.964 . . . . 0.0 109.214 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.56 -39.45 84.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.112 -0.992 . . . . 0.0 110.12 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.21 -40.21 95.33 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 109.358 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.47 -43.45 94.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.256 -0.902 . . . . 0.0 109.694 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.07 -37.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.76 -43.12 98.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.037 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.79 -37.9 88.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.07 -1.019 . . . . 0.0 110.054 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.0 mtt -61.09 -39.87 91.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.302 -0.874 . . . . 0.0 109.816 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.56 -44.18 99.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 108.831 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -61.09 -45.89 92.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.873 -1.142 . . . . 0.0 110.898 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.79 -39.15 87.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.21 -0.931 . . . . 0.0 111.812 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.31 -11.5 54.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.67 -1.268 . . . . 0.0 111.031 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -76.01 90.58 3.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.725 -1.234 . . . . 0.0 109.861 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.95 -46.07 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.8 p30 -76.28 -23.93 54.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.065 -1.022 . . . . 0.0 109.06 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.543 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.91 22.07 50.69 Favored Glycine 0 N--CA 1.481 1.662 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.191 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.465 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 42.7 p30 -80.08 -6.78 58.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -1.138 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 80.88 -1.34 84.47 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 56.9 mt-30 -138.66 159.68 41.51 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.195 -1.179 . . . . 0.0 108.293 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -98.65 123.69 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.955 -1.091 . . . . 0.0 108.563 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.608 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.26 -176.16 2.98 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.976 0.893 . . . . 0.0 110.599 -177.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.0 m-85 -60.98 -40.28 92.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -50.46 73.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -67.97 -42.08 81.42 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.33 -48.44 79.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.583 -0.698 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.17 -43.19 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.154 -1.591 . . . . 0.0 108.382 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -70.38 -36.77 74.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 112.173 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 ttt . . . . . 0 N--CA 1.496 1.869 0 O-C-N 120.843 -1.161 . . . . 0.0 110.521 -177.779 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -107.99 156.52 19.14 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.727 0.775 . . . . 0.0 110.769 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -64.91 -20.13 66.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.577 -0.702 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.8 -40.2 83.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.018 -1.051 . . . . 0.0 109.697 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -64.02 -40.71 96.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.341 -0.849 . . . . 0.0 110.748 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.7 -45.25 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.562 -1.336 . . . . 0.0 109.351 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.71 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.073 -1.017 . . . . 0.0 110.188 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -62.02 -44.02 97.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.922 -1.111 . . . . 0.0 110.677 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.12 -28.88 20.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.991 -1.068 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.9 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.993 -1.067 . . . . 0.0 109.274 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.92 -46.09 90.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.397 -0.814 . . . . 0.0 109.15 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -28.51 61.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 110.12 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 84.6 t80 -59.11 -46.43 88.33 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.132 -0.98 . . . . 0.0 111.558 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.41 -36.38 75.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.95 -1.094 . . . . 0.0 111.32 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.671 -1.268 . . . . 0.0 110.406 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.94 -39.52 83.45 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.7 -1.25 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.71 81.73 8.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.759 -1.213 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.24 -24.51 67.69 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.12 -0.988 . . . . 0.0 109.757 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -28.97 70.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 10.14 83.21 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.536 -1.352 . . . . 0.0 110.206 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -90.87 3.7 53.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.215 -1.168 . . . . 0.0 109.799 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.62 8.69 87.54 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.7 p -135.33 149.71 49.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.179 -1.189 . . . . 0.0 108.845 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.76 128.96 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -104.88 157.9 16.89 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.213 0.53 . . . . 0.0 109.628 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -55.47 -34.69 64.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.282 -0.886 . . . . 0.0 109.896 -178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' A' ' 34' ' ' THR . 64.8 tttp -66.6 -41.39 88.51 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.093 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -41.61 93.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.375 -0.828 . . . . 0.0 111.446 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -54.91 10.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.059 -1.025 . . . . 0.0 109.909 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.76 99.11 Favored Glycine 0 N--CA 1.485 1.94 0 C-N-CA 119.434 -1.365 . . . . 0.0 110.283 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.9 m -59.38 -46.21 89.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.657 -1.496 . . . . 0.0 109.611 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.02 -37.99 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.684 -1.26 . . . . 0.0 109.489 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.436 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 48.8 ttp -67.61 -37.35 82.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.922 -1.112 . . . . 0.0 109.759 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.35 -35.05 73.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.056 -1.027 . . . . 0.0 109.694 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.6 m -55.81 -33.81 64.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.105 -0.997 . . . . 0.0 109.126 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.51 25.7 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.949 . . . . 0.0 108.69 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.99 41.71 98.51 Favored Glycine 0 N--CA 1.484 1.85 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 36' ' ' MET . 51.0 mt-30 -117.1 155.28 29.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.587 -0.949 . . . . 0.0 109.15 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.13 75.38 20.35 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.527 -0.733 . . . . 0.0 109.315 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.8 162.53 26.78 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.845 2.363 . . . . 0.0 112.729 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -104.63 162.41 13.3 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.69 0.757 . . . . 0.0 109.775 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.66 -43.51 97.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.704 -0.623 . . . . 0.0 110.608 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.4 94.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.924 -1.11 . . . . 0.0 109.997 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.63 -46.25 86.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.809 -1.182 . . . . 0.0 109.918 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.54 -38.87 81.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.336 -0.853 . . . . 0.0 110.598 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.684 HE22 ' ND2' ' A' ' 53' ' ' ASN . 8.7 tm0? -61.69 -42.51 99.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.955 -1.09 . . . . 0.0 108.5 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.44 -45.23 91.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.458 -0.776 . . . . 0.0 110.442 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mtt -60.29 -52.11 66.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.918 -1.114 . . . . 0.0 110.697 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -35.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 109.907 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.684 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.6 m-20 -59.1 -27.07 65.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.071 -1.018 . . . . 0.0 110.442 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.81 -21.17 66.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.822 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.0 29.0 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 121.206 -0.934 . . . . 0.0 111.871 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.8 t0 -91.41 104.3 16.83 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.61 -1.306 . . . . 0.0 108.95 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.23 -23.47 18.52 Favored 'General case' 0 N--CA 1.504 2.236 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.324 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 20.3 p30 -93.44 -7.74 43.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 109.147 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.88 26.08 68.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.0 p30 -96.25 1.33 52.0 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.404 -1.056 . . . . 0.0 110.215 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.2 22.51 74.48 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.479 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -140.42 160.98 38.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.289 -1.124 . . . . 0.0 107.968 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -106.1 122.52 59.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.778 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -93.19 156.73 16.66 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.857 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 30.4 t80 -46.95 -52.18 34.89 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 111.617 -178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -59.15 -35.66 97.32 Favored 'Trans proline' 0 N--CA 1.49 1.267 0 CA-C-N 120.921 1.365 . . . . 0.0 111.541 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.21 -44.23 92.56 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 31.2 t80 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.689 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -59.06 -39.77 83.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.988 0.899 . . . . 0.0 109.477 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -63.57 -42.88 98.28 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.06 -41.29 97.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.96 -42.39 94.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.505 -0.747 . . . . 0.0 110.487 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.13 51.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 108.313 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -64.05 -29.29 70.44 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -60.15 -43.27 95.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 110.393 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.9 ptp -68.99 -13.62 62.56 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.638 -1.289 . . . . 0.0 110.161 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 57.4 tptt -68.54 -38.06 80.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.895 -1.128 . . . . 0.0 110.004 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 12.6 t0 81.81 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.55 -81.51 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.614 -0.679 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 97.1 m-20 -88.78 -25.58 22.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.082 -1.011 . . . . 0.0 108.274 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.3 t -46.98 -26.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.01 -41.99 99.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.196 -0.94 . . . . 0.0 108.557 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ASP . 98.3 mt-10 -66.0 -40.32 91.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.03 -38.39 75.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.095 -1.003 . . . . 0.0 109.74 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.66 -39.86 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.526 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.891 -1.131 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.23 -37.49 83.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 0.0 109.581 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -31.93 59.6 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.7 t80 -57.23 -38.37 73.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.76 -39.67 94.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -37.83 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.944 -1.097 . . . . 0.0 109.859 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -67.52 -41.92 83.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.331 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -83.73 84.64 7.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.893 -1.13 . . . . 0.0 109.974 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.52 -38.5 89.84 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.572 -0.705 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.03 -28.92 68.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.216 -0.927 . . . . 0.0 110.65 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.9 12.3 84.72 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 34.9 p-10 -71.58 -4.79 28.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.102 -1.234 . . . . 0.0 109.047 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.42 4.02 86.29 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 32.9 m-85 -137.16 146.33 44.83 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.44 127.62 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.071 -1.018 . . . . 0.0 108.903 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.0 p -105.33 165.12 11.34 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.988 0.899 . . . . 0.0 110.537 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.32 90.78 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.892 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.45 87.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.381 -1.449 . . . . 0.0 108.78 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 88.6 mt-10 -61.46 -39.95 92.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.875 . . . . 0.0 110.136 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.01 87.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 111.339 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.464 ' O ' ' OG1' ' A' ' 110' ' ' THR . 90.7 mtm180 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.311 -1.493 . . . . 0.0 110.244 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -65.64 -60.18 3.18 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.281 -0.887 . . . . 0.0 112.624 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.6 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.012 -1.055 . . . . 0.0 109.452 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mtp -62.42 -37.89 87.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.04 -1.037 . . . . 0.0 110.142 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 96.0 m -65.36 -40.05 93.08 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.193 -0.942 . . . . 0.0 110.893 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.75 -22.34 66.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.097 -1.002 . . . . 0.0 111.565 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 mt -88.29 9.64 22.47 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.741 -1.224 . . . . 0.0 109.988 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.36 11.66 84.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -104.71 139.69 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.589 -0.948 . . . . 0.0 109.153 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -143.9 119.89 10.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.386 -0.821 . . . . 0.0 109.577 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.32 -177.45 3.13 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -101.12 163.33 12.33 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.28 -0.887 . . . . 0.0 108.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.61 -38.91 82.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.003 -1.061 . . . . 0.0 110.03 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.32 -39.9 94.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.052 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.2 -43.67 94.35 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.14 -36.55 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.96 -48.14 82.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.118 -0.989 . . . . 0.0 109.151 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.87 -37.52 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.179 -0.951 . . . . 0.0 109.79 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.95 -40.66 67.02 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.21 -40.68 83.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.491 -0.755 . . . . 0.0 109.11 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.18 -42.4 98.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.241 -0.912 . . . . 0.0 110.925 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -69.66 -38.87 77.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.73 -1.231 . . . . 0.0 111.269 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.69 -4.27 59.15 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.941 -1.1 . . . . 0.0 110.991 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -79.75 89.25 5.19 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.665 -1.272 . . . . 0.0 110.331 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.406 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -94.14 -45.81 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 111.414 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.8 p-10 -75.31 -26.1 58.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 108.889 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.76 20.65 63.14 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 55.6 p-10 -77.78 -7.5 56.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.383 -1.069 . . . . 0.0 109.943 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.26 -11.01 68.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.3 mp0 -131.59 166.78 20.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.327 -1.102 . . . . 0.0 108.467 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.32 125.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.606 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 -178.72 3.67 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.806 0.812 . . . . 0.0 110.595 -178.265 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.588 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.9 m-85 -59.34 -39.51 83.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -50.16 74.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.356 -0.84 . . . . 0.0 109.676 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 48.0 mt-10 -68.02 -41.8 81.62 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -62.45 -48.67 78.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.626 -0.671 . . . . 0.0 111.427 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.68 -42.64 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.895 -1.753 . . . . 0.0 107.108 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -65.21 -36.79 85.26 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.883 . . . . 0.0 111.946 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.0 ttp . . . . . 0 N--CA 1.497 1.89 0 O-C-N 120.826 -1.171 . . . . 0.0 111.487 -177.341 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 p -108.44 161.34 15.12 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.87 -38.01 84.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.354 -0.841 . . . . 0.0 109.617 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.01 -39.14 93.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.011 . . . . 0.0 110.971 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -62.86 -42.49 99.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.692 -1.255 . . . . 0.0 110.493 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.59 -39.88 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.518 -1.364 . . . . 0.0 108.924 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.46 77.92 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.938 -1.101 . . . . 0.0 109.863 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.44 -44.13 97.65 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.843 -1.161 . . . . 0.0 110.657 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -87.42 -21.17 25.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.888 -1.132 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.25 -42.55 96.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.754 -1.216 . . . . 0.0 109.236 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.81 -43.44 98.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.024 -1.047 . . . . 0.0 109.351 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.29 83.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.22 -0.925 . . . . 0.0 109.092 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -58.13 -45.61 87.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 111.407 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.1 p -62.22 -20.56 64.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.886 -1.134 . . . . 0.0 111.546 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -40.99 97.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.531 -1.356 . . . . 0.0 109.871 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -69.13 -37.82 78.52 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.07 -1.019 . . . . 0.0 109.54 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 26' ' ' THR . 38.8 t70 -83.86 84.87 7.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.619 -1.301 . . . . 0.0 110.054 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.74 -39.54 94.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.266 -0.897 . . . . 0.0 111.179 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 57.6 p30 -65.43 -23.04 66.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.737 -1.227 . . . . 0.0 110.198 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.34 21.13 79.5 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -80.46 -0.91 39.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.036 -1.273 . . . . 0.0 109.378 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 4.2 90.5 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 77.6 p -136.07 147.49 47.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.359 -1.083 . . . . 0.0 108.468 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -98.87 130.22 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.276 -0.89 . . . . 0.0 109.004 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.1 p -105.95 157.92 17.15 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.267 0.556 . . . . 0.0 110.393 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 p -56.97 -36.16 69.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.23 -0.919 . . . . 0.0 110.308 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.7 tttt -64.86 -41.88 95.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.789 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 96.5 mt-10 -65.55 -41.08 93.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.553 -0.717 . . . . 0.0 111.089 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -54.91 12.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.612 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.69 -40.8 98.53 Favored Glycine 0 N--CA 1.484 1.875 0 C-N-CA 119.305 -1.426 . . . . 0.0 110.184 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 85.4 m -59.07 -46.09 89.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.559 -1.554 . . . . 0.0 108.896 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.78 -37.09 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.741 -1.224 . . . . 0.0 109.21 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.5 ttp -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.652 -1.28 . . . . 0.0 109.369 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -60.44 -34.39 73.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.189 -0.945 . . . . 0.0 109.058 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 41.3 t -50.06 -35.21 24.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.258 -0.901 . . . . 0.0 108.794 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.82 23.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.246 -0.909 . . . . 0.0 108.757 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.22 42.6 98.74 Favored Glycine 0 N--CA 1.486 2.016 0 O-C-N 121.205 -0.934 . . . . 0.0 111.262 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -112.92 164.57 13.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.457 -1.026 . . . . 0.0 110.114 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -138.04 73.58 45.06 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.12 162.05 37.43 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.789 2.326 . . . . 0.0 113.26 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.46 163.1 13.73 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.851 0.834 . . . . 0.0 109.761 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.98 -41.73 92.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.356 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.964 -1.085 . . . . 0.0 110.698 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE2' ' SD ' ' A' ' 51' ' ' MET . 15.1 tm-20 -66.76 -46.12 76.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.547 -1.346 . . . . 0.0 110.308 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.04 -39.76 90.42 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.109 -0.995 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.63 -45.87 90.84 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.929 -1.107 . . . . 0.0 108.687 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.72 -40.48 95.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.693 -0.629 . . . . 0.0 110.663 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.482 ' SD ' ' OE2' ' A' ' 47' ' ' GLU . 14.2 mtt -58.28 -55.5 34.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.059 -1.026 . . . . 0.0 110.314 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.88 -37.3 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 109.924 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -54.08 -27.95 35.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.3 -0.875 . . . . 0.0 110.467 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.51 -20.69 66.09 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 111.548 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 p -134.94 29.92 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 121.0 -1.063 . . . . 0.0 111.807 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -88.56 98.67 11.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.553 -1.342 . . . . 0.0 109.244 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.12 -28.93 14.83 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.322 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -83.62 -13.99 53.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.908 -1.12 . . . . 0.0 108.827 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.2 23.04 71.33 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -94.4 1.37 55.83 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.435 -1.038 . . . . 0.0 110.215 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.48 16.52 75.73 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 121.084 -1.01 . . . . 0.0 110.674 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.3 p -140.41 161.78 36.89 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.197 -1.178 . . . . 0.0 107.943 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -101.11 121.72 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.406 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.7 m-20 -93.15 154.2 18.2 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -43.46 -52.48 13.36 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.486 -0.759 . . . . 0.0 111.962 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.45 -34.77 97.23 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 CA-C-N 120.991 1.39 . . . . 0.0 111.553 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.56 -44.2 94.82 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.55 -46.36 90.27 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.171 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.94 -38.57 82.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.872 . . . . 0.0 110.012 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -62.61 -43.49 98.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.703 -0.623 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.3 ttp -62.35 -40.74 97.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.433 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.29 -40.84 91.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 0.0 110.821 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.26 -24.28 51.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.908 -1.12 . . . . 0.0 109.14 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ASP . 14.6 tpp85 -59.16 -39.66 83.17 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.571 -0.705 . . . . 0.0 110.303 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ASP . 57.1 mtmt -62.78 -45.25 93.56 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.603 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 mmm -69.73 -40.3 76.29 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.558 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.12 -39.21 25.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.983 -1.073 . . . . 0.0 109.803 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 79' ' ' THR . 39.2 t0 -138.99 -173.94 3.71 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.987 0.899 . . . . 0.0 109.599 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.48 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.9 OUTLIER -131.1 55.36 1.85 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.729 0.776 . . . . 0.0 109.718 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.47 -11.06 60.68 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -76.86 7.48 4.73 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 -40.6 78.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.377 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 -43.73 92.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.254 -0.904 . . . . 0.0 109.105 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 59.0 mp0 -70.52 -29.46 65.96 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.285 -0.884 . . . . 0.0 109.674 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mt -60.7 -44.83 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.01 -36.86 84.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.936 -1.102 . . . . 0.0 109.985 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.64 -39.39 91.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.78 -31.24 58.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.112 -0.993 . . . . 0.0 109.463 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.2 t80 -57.51 -41.04 80.02 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.213 -0.93 . . . . 0.0 109.17 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -63.53 -39.87 95.56 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.51 -0.744 . . . . 0.0 110.642 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.93 -40.01 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.123 -0.986 . . . . 0.0 109.777 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -69.55 -40.59 76.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.194 -0.941 . . . . 0.0 109.694 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.9 t0 -81.82 84.35 6.9 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.954 -1.091 . . . . 0.0 110.345 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.61 -41.56 92.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.5 -0.75 . . . . 0.0 111.52 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.0 p30 -68.24 -26.44 65.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.887 -1.133 . . . . 0.0 111.148 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.49 14.87 81.61 Favored Glycine 0 N--CA 1.488 2.139 0 C-N-CA 119.471 -1.347 . . . . 0.0 109.786 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.493 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.3 p-10 -71.2 -4.25 24.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.011 -1.288 . . . . 0.0 108.79 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.98 1.81 86.57 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.8 m-85 -135.74 148.08 48.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.6 128.99 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.82 -1.175 . . . . 0.0 109.175 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.0 p -106.85 165.23 11.48 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 122.015 0.912 . . . . 0.0 110.691 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.52 91.57 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.236 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.08 85.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.281 -1.512 . . . . 0.0 108.539 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.46 -40.98 96.47 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.24 -0.912 . . . . 0.0 109.822 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -40.8 92.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.503 -0.748 . . . . 0.0 110.573 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.432 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.9 ttp180 -61.83 -38.63 88.88 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 120.691 -1.256 . . . . 0.0 110.255 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.66 -61.45 2.19 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.299 -0.876 . . . . 0.0 112.578 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.99 -40.51 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.11 -0.994 . . . . 0.0 110.041 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 113' ' ' GLY . 98.9 mtp -62.73 -39.41 93.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.843 -1.161 . . . . 0.0 110.402 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 86.0 m -63.84 -48.58 76.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.749 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.71 -37.88 73.57 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.109 -0.994 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.23 -3.58 31.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.462 -0.774 . . . . 0.0 110.943 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -145.64 -96.08 0.19 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.8 152.41 2.0 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.553 -1.557 . . . . 0.0 108.467 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.08 133.05 49.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.815 -1.178 . . . . 0.0 109.792 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.09 -170.9 1.72 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.3 p -101.28 160.24 14.58 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.075 -1.016 . . . . 0.0 108.969 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.1 -39.68 83.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.0 110.007 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.82 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.974 -1.079 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.13 -44.15 97.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.1 -29.65 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.08 -43.04 95.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.085 -1.009 . . . . 0.0 109.38 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.48 -38.5 90.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.163 -0.961 . . . . 0.0 109.911 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtt -56.15 -41.89 76.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 109.156 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.93 -43.67 89.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 109.671 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -60.06 -46.42 89.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.954 -1.091 . . . . 0.0 110.997 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.61 -38.78 90.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.973 -1.079 . . . . 0.0 111.232 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.97 57.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 111.236 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -80.53 84.05 6.2 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.264 . . . . 0.0 110.431 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.69 -45.34 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.937 . . . . 0.0 111.164 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.0 p-10 -76.25 -25.96 55.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.127 -0.983 . . . . 0.0 109.195 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.98 21.27 63.48 Favored Glycine 0 N--CA 1.483 1.775 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.4 p-10 -79.34 -7.7 58.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.356 -1.085 . . . . 0.0 110.295 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.11 -9.84 73.21 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.2 mp0 -131.72 164.17 26.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.351 -1.088 . . . . 0.0 108.548 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.9 t -100.6 124.18 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.43 -177.48 3.33 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.937 0.875 . . . . 0.0 110.909 -177.79 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.8 m-85 -60.07 -39.99 87.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.67 -50.25 74.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.784 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -68.71 -41.63 78.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.278 -0.889 . . . . 0.0 109.545 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.6 -47.5 83.5 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.75 -0.594 . . . . 0.0 110.8 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.76 -43.68 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 O-C-N 120.043 -1.661 . . . . 0.0 108.451 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -64.86 -38.32 90.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.442 -0.786 . . . . 0.0 110.672 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.138 -0.976 . . . . 0.0 110.491 -179.247 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -90.64 6.91 41.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.183 -0.948 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -64.87 130.62 44.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 0.0 109.201 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.74 143.49 46.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 49.0 p -108.8 156.88 19.13 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.657 0.742 . . . . 0.0 110.407 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -65.63 -39.45 91.48 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.688 -0.633 . . . . 0.0 110.406 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.69 -39.08 93.43 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 45.7 mt-30 -61.71 -39.39 91.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.844 -1.16 . . . . 0.0 110.043 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.45 -39.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.635 -1.291 . . . . 0.0 109.231 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -34.68 76.75 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.896 -1.128 . . . . 0.0 109.847 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -42.37 98.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.894 -1.129 . . . . 0.0 110.477 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.58 -19.26 29.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.868 -1.145 . . . . 0.0 109.546 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.96 -42.84 97.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.802 -1.186 . . . . 0.0 109.199 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.27 -45.97 91.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.974 -1.079 . . . . 0.0 109.007 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.85 81.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.265 -0.897 . . . . 0.0 109.383 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.12 -45.67 83.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.351 -0.843 . . . . 0.0 111.241 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.8 p -62.11 -22.19 65.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.896 -1.128 . . . . 0.0 111.687 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -42.58 86.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.441 -1.412 . . . . 0.0 110.168 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -69.42 -37.56 77.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.001 -1.062 . . . . 0.0 109.45 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.7 t0 -83.52 82.78 8.15 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.605 -1.309 . . . . 0.0 109.749 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.92 -23.97 67.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.142 -0.974 . . . . 0.0 110.015 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.33 -30.23 71.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 110.457 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 5.58 87.31 Favored Glycine 0 N--CA 1.496 2.692 0 O-C-N 120.311 -1.493 . . . . 0.0 110.179 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -88.66 2.67 52.81 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.342 -1.093 . . . . 0.0 110.027 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 10.35 85.93 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.781 -1.199 . . . . 0.0 110.272 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.2 149.2 48.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.19 -1.183 . . . . 0.0 108.955 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.6 130.43 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -106.87 158.03 17.31 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -56.17 -35.49 67.27 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.109 -0.994 . . . . 0.0 110.064 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.7 tttm -64.71 -42.1 95.52 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.299 -0.875 . . . . 0.0 109.725 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.96 -42.9 89.33 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.363 -0.836 . . . . 0.0 111.404 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -51.88 22.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.025 . . . . 0.0 109.9 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -39.55 96.34 Favored Glycine 0 N--CA 1.488 2.146 0 C-N-CA 119.46 -1.352 . . . . 0.0 109.859 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 87.8 m -60.4 -46.53 89.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.994 -1.298 . . . . 0.0 109.396 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.08 -36.11 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.72 -1.237 . . . . 0.0 108.554 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.04 -32.58 72.19 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.927 -1.108 . . . . 0.0 108.87 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -58.74 -35.81 73.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.571 -0.706 . . . . 0.0 109.468 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.624 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.9 m -58.3 -34.19 70.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 109.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.56 16.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.259 -0.901 . . . . 0.0 108.874 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.624 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.08 39.8 98.45 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -118.5 161.46 19.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.616 -0.932 . . . . 0.0 110.118 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -141.42 68.75 26.34 Favored Pre-proline 0 C--N 1.297 -1.693 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.4 164.76 32.04 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.859 2.373 . . . . 0.0 112.802 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -107.46 163.52 12.98 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.874 0.845 . . . . 0.0 109.951 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.497 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.55 94.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.982 -1.073 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -44.24 94.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.985 -1.072 . . . . 0.0 110.254 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.36 -32.42 71.47 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.323 -0.861 . . . . 0.0 110.043 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.75 -48.51 80.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.019 -1.051 . . . . 0.0 110.07 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.2 -43.42 95.96 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -0.96 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' B' ' 201' ' ' MET . 22.3 mtt -64.34 -52.07 60.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.963 -1.086 . . . . 0.0 110.69 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -38.3 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.908 -1.12 . . . . 0.0 110.362 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -58.9 -37.86 77.57 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -60.49 -37.69 81.91 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.04 -1.038 . . . . 0.0 111.861 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.17 7.59 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.988 -1.07 . . . . 0.0 111.048 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.71 107.58 14.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.928 -1.108 . . . . 0.0 109.372 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.93 -25.54 16.5 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.286 -0.884 . . . . 0.0 110.996 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 35.1 p30 -90.87 -5.84 55.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.62 26.93 67.33 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.9 p-10 -94.0 0.2 55.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.213 -1.169 . . . . 0.0 109.834 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.28 17.64 77.63 Favored Glycine 0 N--CA 1.495 2.571 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.766 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -141.23 160.75 39.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.113 -1.228 . . . . 0.0 107.976 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -101.58 121.07 52.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.443 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 60.7 m-20 -91.83 155.85 17.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.333 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -44.99 -51.58 22.52 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.554 -0.717 . . . . 0.0 112.142 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.85 -32.93 85.65 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.204 1.466 . . . . 0.0 111.628 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.26 -43.11 95.86 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.05 -43.3 99.1 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.54 -39.45 84.02 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.771 0.796 . . . . 0.0 109.567 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.5 m -62.25 -42.8 99.65 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.2 ttp -62.82 -39.59 94.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 0.0 109.69 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.17 -43.35 95.89 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.777 -1.202 . . . . 0.0 110.232 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.96 44.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.872 -1.143 . . . . 0.0 108.715 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -54.46 -20.83 8.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.568 -0.707 . . . . 0.0 109.636 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.55 -42.27 82.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.573 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -61.04 -39.74 90.95 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.17 -16.9 60.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.124 -0.985 . . . . 0.0 109.538 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 53.33 45.65 28.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 -57.73 3.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.932 -1.105 . . . . 0.0 109.51 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -85.72 -13.39 48.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.127 -0.983 . . . . 0.0 108.818 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.6 m -49.15 -37.58 22.66 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -41.43 94.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.029 -1.044 . . . . 0.0 109.015 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.33 -42.4 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -67.81 -40.27 83.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.169 -0.957 . . . . 0.0 109.884 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.28 -46.29 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.507 -0.877 . . . . 0.0 108.682 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.55 -39.31 77.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.553 -1.342 . . . . 0.0 110.359 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -68.46 -39.17 81.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.861 -1.149 . . . . 0.0 110.672 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.76 70.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.334 -0.854 . . . . 0.0 110.697 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.4 t80 -58.97 -38.05 78.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 108.761 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -63.47 -37.54 87.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.658 -0.651 . . . . 0.0 109.86 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.22 -41.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.997 -1.065 . . . . 0.0 109.352 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -40.0 82.39 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.09 -1.006 . . . . 0.0 108.856 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -82.45 83.0 7.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.078 -1.013 . . . . 0.0 110.005 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 63.8 tttm -66.3 -39.85 89.6 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.556 -0.715 . . . . 0.0 111.321 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -67.66 -29.12 68.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.971 -1.081 . . . . 0.0 110.824 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.31 11.55 84.12 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 26.9 p-10 -70.6 -8.81 54.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.042 -1.269 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.22 -4.73 82.93 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 68.4 m-85 -133.11 139.96 47.39 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.7 mt -95.51 120.65 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.745 -1.222 . . . . 0.0 109.728 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -91.37 165.88 13.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.217 -0.927 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.53 97.44 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.689 -0.632 . . . . 0.0 112.057 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.7 88.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.517 -1.364 . . . . 0.0 109.678 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -62.7 -41.51 99.16 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.582 -0.699 . . . . 0.0 111.968 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.14 -36.38 83.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -66.72 -34.27 77.47 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.724 -1.235 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.503 ' CE1' HD22 ' A' ' 111' ' ' ASN . 23.1 t60 -58.27 -57.45 12.81 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.204 -0.935 . . . . 0.0 113.029 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.16 -39.37 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.978 -1.076 . . . . 0.0 108.742 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.75 -38.61 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.925 -1.11 . . . . 0.0 110.331 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -66.73 -40.58 88.41 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.253 -0.905 . . . . 0.0 110.937 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.503 HD22 ' CE1' ' A' ' 107' ' ' HIS . 95.4 m-20 -62.51 -21.42 65.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.32 12.45 34.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.0 109.641 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.76 20.86 79.91 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.53 143.49 40.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.585 -0.95 . . . . 0.0 109.589 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -160.56 134.09 6.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.829 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.99 -170.65 1.91 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 p -98.25 160.59 14.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.047 -1.033 . . . . 0.0 109.114 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.42 -40.48 86.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 110.112 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.46 -41.6 94.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 108.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -63.28 -44.24 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 109.863 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.02 -37.57 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.49 -47.18 85.09 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.105 -0.997 . . . . 0.0 109.978 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 110.301 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.0 ttt -59.59 -43.1 93.77 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 109.445 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.13 -40.57 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.924 . . . . 0.0 108.646 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.31 -46.23 90.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 110.378 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -66.26 -42.33 88.66 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.924 -1.11 . . . . 0.0 111.475 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.83 -16.38 59.45 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.963 -1.085 . . . . 0.0 110.538 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -70.42 93.49 0.88 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.959 -1.088 . . . . 0.0 109.595 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.19 -46.42 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.632 -0.667 . . . . 0.0 111.475 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.3 p-10 -75.05 -25.8 58.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.149 -0.969 . . . . 0.0 108.69 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.81 19.87 62.54 Favored Glycine 0 N--CA 1.479 1.547 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 57.0 p-10 -77.09 -9.3 58.64 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.331 -1.099 . . . . 0.0 109.84 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.47 -11.2 68.84 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.1 mp0 -131.26 160.67 34.22 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.346 -1.09 . . . . 0.0 108.381 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.29 124.9 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.597 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 178.45 4.48 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.939 0.876 . . . . 0.0 110.307 -178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.5 m-85 -59.66 -38.58 81.83 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.38 -50.25 74.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.51 -41.06 85.05 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.136 -0.978 . . . . 0.0 109.265 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.727 -0.608 . . . . 0.0 110.604 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.52 -43.09 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.038 -1.664 . . . . 0.0 108.29 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -64.45 -37.99 89.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.474 -0.766 . . . . 0.0 110.549 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.3 ttp -61.22 -37.75 84.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.03 -1.044 . . . . 0.0 109.963 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.7 mmm -82.21 -22.08 36.11 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.3 -0.875 . . . . 0.0 112.388 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.26 55.19 3.39 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.246 -1.534 . . . . 0.0 109.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.29 145.4 32.81 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.293 -0.879 . . . . 0.0 109.799 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.286 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.452 ' CE ' ' SD ' ' A' ' 51' ' ' MET . 20.0 mtp -143.78 152.92 41.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.792 . . . . 0.0 109.063 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 21.8 p-10 -52.06 -47.92 64.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.781 -1.2 . . . . 0.0 108.595 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.92 -38.51 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.207 -0.933 . . . . 0.0 109.629 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.443 ' HB3' ' H ' ' B' ' 201' ' ' MET . 32.6 t80 -55.09 -46.07 75.48 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.646 -1.284 . . . . 0.0 109.385 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.2 mtp -60.88 -35.78 77.51 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.49 -37.22 77.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.342 -0.849 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.33 -37.29 91.72 Favored Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.371 -0.831 . . . . 0.0 111.146 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 6.2 mt -47.87 -45.28 30.13 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.694 -1.474 . . . . 0.0 109.935 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 90.2 p -64.34 -38.91 92.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 110.479 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -64.18 -40.08 95.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.903 -1.123 . . . . 0.0 110.126 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -79.89 -9.1 59.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 109.536 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -92.13 -80.33 0.36 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.121 -0.987 . . . . 0.0 109.377 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.43 -41.46 89.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.192 -0.942 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.3 -43.05 99.86 Favored Glycine 0 N--CA 1.499 2.853 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.66 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -23.01 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.663 -1.492 . . . . 0.0 110.45 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 52.0 t -62.95 -38.11 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.36 3.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.8 -1.188 . . . . 0.0 109.242 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . 177.89 -38.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.518 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -87.86 -3.6 58.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.316 -0.865 . . . . 0.0 109.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -62.75 -40.07 96.11 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.89 . . . . 0.0 109.54 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 tp -116.62 143.46 45.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -108.09 156.62 19.07 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.605 0.717 . . . . 0.0 110.621 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -65.87 -40.38 91.57 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.614 -0.679 . . . . 0.0 110.2 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -63.0 -38.54 91.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.156 -0.965 . . . . 0.0 110.185 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -60.47 -40.36 90.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 0.0 109.683 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.27 -39.09 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.863 -1.148 . . . . 0.0 109.744 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.5 74.92 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.824 -1.172 . . . . 0.0 109.821 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.09 -42.18 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.794 -1.191 . . . . 0.0 110.248 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -86.82 -17.94 32.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.954 -1.091 . . . . 0.0 109.642 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.19 -43.36 95.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.483 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.81 -43.06 98.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.223 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.05 79.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.883 . . . . 0.0 109.299 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.89 -44.83 82.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.334 -0.854 . . . . 0.0 111.318 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.09 -37.42 82.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.025 -1.047 . . . . 0.0 111.66 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -42.02 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.685 -1.259 . . . . 0.0 110.748 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -69.96 -36.96 75.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.83 -1.169 . . . . 0.0 109.561 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 26' ' ' THR . 60.8 t0 -83.69 82.94 8.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.694 -1.254 . . . . 0.0 109.278 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.28 -24.48 67.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.172 -0.955 . . . . 0.0 110.109 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.43 -30.41 71.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.48 5.53 89.23 Favored Glycine 0 N--CA 1.496 2.663 0 O-C-N 120.282 -1.511 . . . . 0.0 109.942 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 58.4 p30 -88.92 4.29 48.47 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.372 -1.075 . . . . 0.0 110.01 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.38 84.63 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.7 p -136.89 150.13 48.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -1.163 . . . . 0.0 109.244 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -103.89 131.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.6 p -111.29 159.92 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.244 0.545 . . . . 0.0 109.727 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.15 -33.23 62.76 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.345 -0.847 . . . . 0.0 110.502 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 34' ' ' THR . 98.0 mttt -70.52 -39.17 74.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 110.124 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.07 -42.11 85.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.027 -1.045 . . . . 0.0 111.056 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -56.44 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 0.0 110.659 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.76 -40.44 98.13 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.097 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 94.9 m -60.03 -46.58 89.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.975 -1.309 . . . . 0.0 109.418 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.56 -38.96 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.823 -1.173 . . . . 0.0 109.202 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.91 -28.82 69.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.764 -1.21 . . . . 0.0 108.84 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.08 -35.51 75.35 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.436 -0.79 . . . . 0.0 109.455 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -57.43 -35.0 69.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 0.0 108.802 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.54 20.68 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.275 -0.891 . . . . 0.0 108.786 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.2 41.8 91.75 Favored Glycine 0 N--CA 1.485 1.954 0 O-C-N 121.304 -0.872 . . . . 0.0 111.104 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' NE2' ' CG ' ' B' ' 201' ' ' MET . 37.3 mm-40 -113.8 151.88 31.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.41 -1.053 . . . . 0.0 109.488 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -142.04 65.81 19.74 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.84 165.05 27.08 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.985 2.456 . . . . 0.0 112.406 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -104.08 163.83 12.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.631 0.729 . . . . 0.0 109.471 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.08 -41.94 97.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.371 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.27 93.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.004 -1.06 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.97 -43.99 94.09 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.024 -1.047 . . . . 0.0 110.402 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.19 -24.41 63.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.148 -0.97 . . . . 0.0 109.872 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -59.52 -47.7 84.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.955 -1.091 . . . . 0.0 109.389 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.39 -39.95 92.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.217 -0.927 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 ttt -60.03 -53.71 54.64 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.201 -0.937 . . . . 0.0 110.65 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.83 -36.16 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.146 -0.971 . . . . 0.0 110.584 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -58.08 -36.75 73.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.54 -0.725 . . . . 0.0 110.672 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.04 -17.26 16.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.039 -1.038 . . . . 0.0 110.888 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 p -135.17 24.58 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 121.113 -0.992 . . . . 0.0 111.965 -178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.46 100.12 12.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.395 -1.441 . . . . 0.0 108.936 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.57 -17.27 22.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.184 -0.947 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -90.28 -14.66 32.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.054 -1.029 . . . . 0.0 108.483 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.03 18.99 69.52 Favored Glycine 0 N--CA 1.483 1.78 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.12 2.05 55.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.584 -0.951 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.79 74.92 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.1 p -142.3 160.5 40.12 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.225 -1.162 . . . . 0.0 108.203 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.86 120.09 48.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.228 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -89.07 154.05 20.49 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.399 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -44.73 -54.18 13.5 Favored Pre-proline 0 C--N 1.3 -1.584 0 O-C-N 121.083 -1.011 . . . . 0.0 112.137 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.69 -32.93 97.9 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 CA-C-N 120.923 1.365 . . . . 0.0 111.509 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -64.22 -42.95 96.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.628 -1.295 . . . . 0.0 107.649 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.67 -44.72 96.41 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.467 0.651 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.97 -39.9 79.29 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.695 0.76 . . . . 0.0 109.993 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.1 m -63.81 -43.34 96.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.8 -0.563 . . . . 0.0 109.8 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 ttp -64.14 -40.23 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.573 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.92 -42.14 93.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.005 -1.06 . . . . 0.0 110.356 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.87 -24.12 48.62 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.962 -1.086 . . . . 0.0 109.049 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.29 -18.61 11.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.81 . . . . 0.0 109.907 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HZ1' ' CB ' ' B' ' 209' ' ' SER . 39.0 ttpt -57.51 -43.19 84.07 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.36 90.25 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -69.51 -22.75 63.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.04 -1.037 . . . . 0.0 109.228 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 53.94 46.35 25.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.394 -0.816 . . . . 0.0 110.303 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -63.43 1.34 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.04 -1.038 . . . . 0.0 109.495 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 97.8 m-20 -88.15 -12.22 44.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.045 -1.034 . . . . 0.0 108.672 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -48.21 -33.94 9.35 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.147 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.12 -41.94 98.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.899 -1.125 . . . . 0.0 108.479 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.03 -45.57 84.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.537 -0.727 . . . . 0.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 6.5 mp0 -67.44 -36.95 82.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.351 -0.843 . . . . 0.0 110.473 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.45 -44.21 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.259 -0.901 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.64 -38.25 83.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.664 -1.272 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' OE1' ' OD1' ' B' ' 202' ' ' ASP . 82.2 tt0 -64.64 -38.3 90.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 0.0 109.85 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -29.77 34.74 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.162 -0.961 . . . . 0.0 109.265 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.7 t80 -57.85 -38.93 76.55 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.33 -40.7 98.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.548 -0.72 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -74.49 -41.42 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.093 -1.004 . . . . 0.0 109.256 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.57 -40.11 73.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.164 -0.96 . . . . 0.0 109.287 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -79.94 81.52 6.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.462 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.544 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -66.6 -42.57 86.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.703 . . . . 0.0 111.315 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -68.17 -27.03 66.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.984 -1.072 . . . . 0.0 110.822 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.01 14.05 80.56 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.015 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.543 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 37.0 p-10 -69.65 -7.28 37.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.945 -1.327 . . . . 0.0 108.863 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.99 82.89 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 64.2 m-85 -133.24 142.21 48.43 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.0 mt -95.17 120.88 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.44 -1.413 . . . . 0.0 109.598 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -94.08 165.88 12.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.27 97.1 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.702 -0.623 . . . . 0.0 111.934 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.08 89.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.521 -1.362 . . . . 0.0 109.652 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.5 tt0 -63.13 -42.08 99.44 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.585 -0.697 . . . . 0.0 111.965 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.82 -35.5 80.12 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 110.937 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.28 -37.95 84.26 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -56.17 -56.52 19.87 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.205 -0.934 . . . . 0.0 112.717 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.61 -40.28 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.079 -1.013 . . . . 0.0 108.557 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 93.5 mtp -63.17 -38.96 93.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.843 -1.161 . . . . 0.0 109.832 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -66.96 -40.38 87.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.453 -0.779 . . . . 0.0 110.359 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -62.72 -22.55 66.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.203 -0.936 . . . . 0.0 110.548 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.3 mt -97.88 13.58 30.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -0.942 . . . . 0.0 109.928 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.51 18.55 79.95 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -109.19 142.24 40.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.599 -0.942 . . . . 0.0 109.41 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -157.8 131.58 7.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.887 . . . . 0.0 109.603 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.38 -171.07 2.01 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -99.04 161.74 13.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.081 -1.012 . . . . 0.0 109.093 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.11 -41.15 87.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -0.999 . . . . 0.0 109.984 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.41 -42.01 95.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.368 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.73 -43.46 98.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.538 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.22 -34.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.8 -43.83 94.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.106 -0.996 . . . . 0.0 109.518 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.45 -38.04 89.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.13 -0.982 . . . . 0.0 110.199 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.0 mtt -54.77 -42.16 71.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.118 -0.989 . . . . 0.0 109.625 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.88 -42.05 93.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -59.58 -46.92 87.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.868 -1.145 . . . . 0.0 110.637 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 111.622 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -0.77 57.71 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.81 -1.181 . . . . 0.0 111.204 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.03 84.31 6.51 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.697 -1.252 . . . . 0.0 110.05 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -45.73 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 111.163 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.0 p30 -76.19 -25.89 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.002 -1.061 . . . . 0.0 109.145 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.571 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.0 21.23 65.99 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 57.1 p-10 -78.88 -7.64 58.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 110.075 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.25 -11.3 68.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.6 mp0 -130.92 161.85 30.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.212 -1.17 . . . . 0.0 108.42 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.31 125.18 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.603 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.88 -178.65 3.64 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.898 0.856 . . . . 0.0 110.9 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.9 m-85 -59.43 -39.82 84.73 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.39 -50.28 74.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.412 -0.805 . . . . 0.0 109.835 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -67.72 -42.36 82.05 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.554 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.44 -47.56 83.5 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.756 -0.59 . . . . 0.0 111.006 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.94 -43.36 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 119.97 -1.706 . . . . 0.0 108.575 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.12 -36.92 85.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 110.762 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.7 ttp -60.18 -38.4 83.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 110.219 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.1 mtp -80.55 -20.47 43.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.124 -0.985 . . . . 0.0 112.642 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.42 56.12 3.81 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.186 -1.571 . . . . 0.0 109.837 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.52 139.09 41.53 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.2 -0.937 . . . . 0.0 109.537 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.384 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.424 ' O ' ' OE2' ' A' ' 87' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.568 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 93.2 mmm -102.78 20.63 16.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.461 -0.774 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 43.9 p-10 -54.94 -34.85 63.61 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 118.954 -1.099 . . . . 0.0 109.331 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 4.2 p -66.82 -22.59 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 110.367 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.39 -48.65 76.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.644 -1.285 . . . . 0.0 109.474 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.0 mtp -65.61 -43.83 88.4 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 120.908 -1.12 . . . . 0.0 110.328 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.74 -40.08 69.64 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 110.547 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -70.22 -1.1 32.75 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.8 OUTLIER -36.93 -56.07 0.88 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.813 -0.816 . . . . 0.0 110.13 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' SER . . . . . 0.441 ' CB ' ' HZ1' ' A' ' 75' ' ' LYS . 73.7 m -68.67 -40.26 80.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.964 -1.085 . . . . 0.0 110.104 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -84.29 6.59 22.33 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -61.97 -24.95 67.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.013 -1.054 . . . . 0.0 109.679 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -166.58 -6.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.91 -1.119 . . . . 0.0 110.098 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.64 -50.01 74.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.021 . . . . 0.0 110.993 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.5 -44.85 94.6 Favored Glycine 0 N--CA 1.502 3.076 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.76 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' B' ' 217' ' ' ALA . 0.5 OUTLIER -71.63 -10.97 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.912 -1.346 . . . . 0.0 110.706 -179.146 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 2.9 p -50.5 -9.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.881 -1.137 . . . . 0.0 109.735 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' B' ' 215' ' ' VAL . . . -61.55 -38.53 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.176 -0.953 . . . . 0.0 110.597 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' B' ' 219' ' ' ALA . . . -59.66 -39.85 85.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.02 -1.05 . . . . 0.0 110.192 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' B' ' 218' ' ' ALA . . . 74.63 169.65 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.219 -0.926 . . . . 0.0 109.461 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.312 0.577 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -81.95 -7.7 59.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.77 -40.37 97.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.147 -0.97 . . . . 0.0 109.452 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.33 143.14 27.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.0 108.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -109.17 155.86 20.54 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.697 0.761 . . . . 0.0 110.874 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.13 -38.26 85.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.795 -0.566 . . . . 0.0 109.763 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.65 -41.6 99.14 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.16 -0.962 . . . . 0.0 110.5 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.84 -39.85 94.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.072 -1.018 . . . . 0.0 110.543 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.5 mt -59.98 -39.91 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.443 -1.411 . . . . 0.0 109.376 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.26 75.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.878 -1.139 . . . . 0.0 109.867 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.89 -41.55 96.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 110.232 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -85.67 -19.15 31.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.927 -1.108 . . . . 0.0 109.202 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.65 -41.84 95.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.838 -1.164 . . . . 0.0 109.236 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.97 -43.14 99.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.916 -1.115 . . . . 0.0 109.092 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.15 80.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.195 -0.941 . . . . 0.0 109.167 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.28 -44.92 84.45 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.736 . . . . 0.0 111.378 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -60.93 -37.17 81.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.039 -1.038 . . . . 0.0 112.005 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -42.98 69.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.296 . . . . 0.0 110.656 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -67.25 -37.85 84.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.787 -1.195 . . . . 0.0 109.165 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 26' ' ' THR . 33.2 t70 -85.73 86.22 7.37 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.469 -1.394 . . . . 0.0 110.009 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.03 -38.28 88.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.483 -0.761 . . . . 0.0 111.369 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.2 p30 -64.33 -24.01 67.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.711 -1.243 . . . . 0.0 110.427 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.74 18.37 78.74 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD2' ' OD2' ' A' ' 22' ' ' ASP . 58.5 p-10 -80.94 -0.56 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.122 -1.223 . . . . 0.0 109.474 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.75 90.22 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.4 p -134.9 146.31 49.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.041 . . . . 0.0 108.444 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.6 mt -99.27 132.25 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 109.347 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -109.34 158.66 17.69 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.379 0.609 . . . . 0.0 110.485 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 p -57.76 -35.53 70.88 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.404 -0.81 . . . . 0.0 110.685 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' O ' ' OG1' ' A' ' 34' ' ' THR . 97.8 mttt -67.16 -39.61 86.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.036 -1.04 . . . . 0.0 109.603 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.23 -40.97 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.367 -0.833 . . . . 0.0 111.003 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.63 -53.35 16.2 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.267 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.61 99.18 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.542 -1.313 . . . . 0.0 109.891 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 89.2 m -59.98 -46.61 88.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -1.226 . . . . 0.0 109.131 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.6 -38.03 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.784 -1.197 . . . . 0.0 108.974 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.6 ttp -66.27 -29.33 69.54 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.753 -1.217 . . . . 0.0 108.651 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.12 -37.99 81.7 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.807 . . . . 0.0 109.625 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.9 m -57.66 -32.41 67.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.189 -0.945 . . . . 0.0 108.851 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.45 19.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.81 38.39 95.51 Favored Glycine 0 N--CA 1.485 1.935 0 O-C-N 121.05 -1.032 . . . . 0.0 111.002 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -111.16 154.87 23.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.467 -1.02 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -138.51 69.74 45.84 Favored Pre-proline 0 C--N 1.296 -1.734 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.95 163.41 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.899 2.4 . . . . 0.0 113.084 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -106.8 164.04 12.44 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.748 0.785 . . . . 0.0 109.151 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.83 95.17 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.345 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.8 95.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.915 -1.116 . . . . 0.0 110.346 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.08 -45.83 86.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.982 -1.074 . . . . 0.0 110.308 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.36 -34.29 76.99 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.378 -0.826 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -58.55 -47.7 83.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.004 . . . . 0.0 109.328 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.55 -39.54 93.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 110.355 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 35.4 mtt -59.0 -51.22 71.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.852 -1.155 . . . . 0.0 110.322 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.51 -35.98 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.071 -1.018 . . . . 0.0 111.006 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -55.91 -32.99 64.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.817 . . . . 0.0 110.313 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -62.37 -20.07 64.04 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 111.805 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 p -133.68 28.83 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 O-C-N 120.939 -1.101 . . . . 0.0 111.557 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -92.14 103.07 15.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.797 -1.189 . . . . 0.0 108.671 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 -27.78 15.86 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.028 -1.045 . . . . 0.0 110.577 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p30 -85.65 -13.02 49.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.842 -1.161 . . . . 0.0 109.033 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.72 22.95 72.18 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -93.81 1.52 56.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.378 -1.072 . . . . 0.0 110.078 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 19.32 76.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.438 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.0 p -140.55 162.23 35.85 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.3 mt -103.93 120.91 54.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.94 153.86 19.87 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.4 t80 -45.05 -51.69 22.55 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.312 -0.868 . . . . 0.0 111.871 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.74 -33.08 96.47 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.926 1.367 . . . . 0.0 111.345 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.63 -44.14 91.45 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.602 -1.311 . . . . 0.0 107.659 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -60.95 -43.89 98.07 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.615 0.722 . . . . 0.0 110.077 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.09 -39.8 83.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.693 0.759 . . . . 0.0 109.672 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.65 -43.68 98.4 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.495 ' CG ' ' NZ ' ' B' ' 206' ' ' LYS . 17.5 ttp -63.21 -40.2 96.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.74 -43.77 94.08 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.912 -1.117 . . . . 0.0 110.504 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.64 -24.2 45.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.96 -1.088 . . . . 0.0 108.793 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.58 -18.25 7.18 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.465 -0.772 . . . . 0.0 109.729 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -57.39 -45.9 84.03 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 3.7 mpp? -64.0 -44.12 93.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.065 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -71.24 -37.78 71.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.077 . . . . 0.0 109.997 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.473 ' CG ' ' NZ ' ' B' ' 210' ' ' LYS . 46.9 t0 57.79 56.18 4.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.482 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -67.04 0.85 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.193 -0.942 . . . . 0.0 109.779 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.74 -25.41 21.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 108.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.8 t -49.47 -30.29 7.96 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.66 -45.28 89.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 108.761 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.91 -41.11 95.47 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.529 -0.732 . . . . 0.0 109.859 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.56 -20.15 60.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.044 -1.035 . . . . 0.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -41.67 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 109.027 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.88 -38.45 91.02 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.467 -1.396 . . . . 0.0 110.242 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.92 -36.45 84.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.875 -1.141 . . . . 0.0 109.572 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.58 -31.74 62.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 109.572 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 41.5 t80 -55.28 -37.54 67.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.049 -1.032 . . . . 0.0 108.384 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -62.35 -40.8 97.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.44 -0.787 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -39.62 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -73.64 -42.24 61.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.18 82.94 7.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 109.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -65.93 -42.86 89.55 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.645 -0.66 . . . . 0.0 111.434 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -67.96 -26.68 66.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.909 -1.12 . . . . 0.0 110.877 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.49 15.12 80.55 Favored Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.548 -1.31 . . . . 0.0 109.869 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.536 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 36.1 p-10 -70.33 -8.73 52.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.298 . . . . 0.0 109.069 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.33 -7.22 81.84 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 76.0 m-85 -132.38 137.51 47.37 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.8 mt -91.18 122.24 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.301 -1.499 . . . . 0.0 109.789 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p -94.55 166.13 12.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.206 -0.934 . . . . 0.0 110.531 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.75 97.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.743 -0.598 . . . . 0.0 111.693 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.54 91.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.54 -1.35 . . . . 0.0 109.583 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.7 tt0 -63.04 -41.61 99.55 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.544 -0.723 . . . . 0.0 111.608 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.84 -37.85 89.02 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.981 -1.074 . . . . 0.0 111.307 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.23 -37.42 87.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.835 -1.166 . . . . 0.0 110.725 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.63 -56.59 19.98 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.33 -0.856 . . . . 0.0 112.543 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.99 -39.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.241 -0.912 . . . . 0.0 109.022 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.6 mtp -62.44 -38.17 88.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.972 -1.08 . . . . 0.0 110.446 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.0 m -64.8 -40.51 95.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.247 -0.908 . . . . 0.0 110.46 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.58 -23.21 67.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 110.638 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.8 mt -94.87 9.7 38.18 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.154 -0.966 . . . . 0.0 109.773 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.92 18.5 80.16 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.27 143.17 40.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.605 -0.938 . . . . 0.0 109.47 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -157.76 130.99 7.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.0 109.684 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.39 -170.28 1.78 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.2 p -100.67 161.46 13.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.086 -1.009 . . . . 0.0 109.16 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.99 -40.71 85.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.189 -0.944 . . . . 0.0 110.087 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.18 -41.85 93.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 108.989 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.27 -37.7 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.09 -47.35 86.7 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.058 -1.026 . . . . 0.0 109.867 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.69 -38.4 89.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ttt -59.02 -43.67 91.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.969 -1.082 . . . . 0.0 109.165 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.64 -39.12 83.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 108.798 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.1 -47.33 86.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.75 -40.19 72.85 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.013 -1.054 . . . . 0.0 112.184 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 -20.81 59.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.867 -1.145 . . . . 0.0 110.643 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -68.57 97.96 0.83 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.947 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -45.56 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.572 -0.705 . . . . 0.0 111.085 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.7 p-10 -75.02 -25.13 58.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 108.749 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.5 19.78 57.79 Favored Glycine 0 N--CA 1.48 1.63 0 C-N-CA 119.515 -1.326 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -80.26 -5.18 55.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.294 -1.121 . . . . 0.0 110.064 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.76 -0.67 81.4 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -137.55 154.54 49.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.412 -1.052 . . . . 0.0 108.424 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.65 122.31 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.36 -175.38 2.76 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.833 0.825 . . . . 0.0 110.327 -177.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.4 m-85 -61.21 -39.77 91.46 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.85 -51.03 71.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.303 -0.873 . . . . 0.0 109.896 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -67.39 -41.19 85.39 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.114 -0.992 . . . . 0.0 109.343 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -62.49 -47.75 82.61 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.725 -0.609 . . . . 0.0 110.554 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.29 -42.38 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.154 -1.591 . . . . 0.0 108.248 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -69.62 -36.48 76.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 112.221 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttt -58.64 -48.43 81.06 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.813 -1.179 . . . . 0.0 110.844 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -5.54 18.37 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.132 -0.98 . . . . 0.0 112.832 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -94.04 52.36 1.62 Allowed 'General case' 0 N--CA 1.51 2.566 0 O-C-N 120.213 -1.554 . . . . 0.0 109.523 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.16 140.26 39.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.57 -0.706 . . . . 0.0 109.32 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.397 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.525 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.213 -0.824 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 96.8 mtp -104.6 19.98 19.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 28.8 p-10 -55.85 -52.15 65.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.056 -1.028 . . . . 0.0 111.151 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 7.6 p -75.32 -28.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.501 -1.374 . . . . 0.0 111.457 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.78 -49.0 66.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.923 -1.111 . . . . 0.0 110.929 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 5.8 ptp -87.52 -34.3 18.66 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.863 -1.148 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.495 ' NZ ' ' CG ' ' A' ' 71' ' ' MET . 13.5 ttmm -65.27 -39.94 93.27 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.897 -1.127 . . . . 0.0 110.19 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.92 -41.07 99.17 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.908 -1.139 . . . . 0.0 110.847 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -47.11 22.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.708 -1.466 . . . . 0.0 109.001 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 87.8 p -64.28 -39.69 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.088 -1.007 . . . . 0.0 109.111 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.473 ' NZ ' ' CG ' ' A' ' 78' ' ' ASP . 56.4 tptt -63.85 -45.46 89.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.167 -0.958 . . . . 0.0 108.977 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -71.7 -21.8 61.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.345 -0.847 . . . . 0.0 109.524 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.03 -44.46 97.38 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.088 -1.008 . . . . 0.0 108.939 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -40.03 95.74 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.0 109.599 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -60.13 -39.52 95.94 Favored Glycine 0 N--CA 1.498 2.825 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.641 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -9.68 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.574 -1.545 . . . . 0.0 109.558 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.445 ' H ' ' C ' ' B' ' 214' ' ' GLY . 52.9 t -61.96 -39.04 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.33 -0.856 . . . . 0.0 109.774 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -54.33 -10.16 0.36 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.076 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.95 -1.094 . . . . 0.0 109.271 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . 179.18 -80.5 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.883 . . . . 0.0 109.431 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -83.99 75.81 10.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.0 109.141 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 53.61 -163.79 0.1 Allowed 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tp -78.91 142.51 36.69 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.114 -0.991 . . . . 0.0 109.035 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.8 p -108.03 156.5 19.18 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.575 0.703 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.02 -42.17 94.65 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.625 -0.672 . . . . 0.0 110.273 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -62.69 -33.57 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.118 -0.989 . . . . 0.0 110.551 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.03 -41.21 97.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.304 -0.873 . . . . 0.0 109.409 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.99 -39.82 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.926 -1.108 . . . . 0.0 109.815 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.42 74.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.152 . . . . 0.0 109.749 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.984 -1.072 . . . . 0.0 110.24 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.9 -18.22 31.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.837 -1.164 . . . . 0.0 109.647 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -63.55 -43.54 96.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.744 -1.222 . . . . 0.0 109.323 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.62 -45.82 92.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.138 -0.976 . . . . 0.0 109.031 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.17 83.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.343 -0.848 . . . . 0.0 109.423 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.5 -45.6 84.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.334 -0.853 . . . . 0.0 111.095 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.1 p -62.84 -21.89 66.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.897 -1.127 . . . . 0.0 111.676 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -41.56 88.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.457 -1.402 . . . . 0.0 110.074 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.52 -36.56 73.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.058 -1.026 . . . . 0.0 109.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 26' ' ' THR . 56.3 t0 -82.55 83.26 7.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.657 -1.277 . . . . 0.0 109.654 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.53 -25.53 68.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.29 -0.881 . . . . 0.0 110.06 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.19 -28.62 70.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.142 -0.974 . . . . 0.0 110.461 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 6.34 86.28 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 120.374 -1.454 . . . . 0.0 110.126 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -88.94 3.81 50.18 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.285 -1.127 . . . . 0.0 109.911 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.58 86.86 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.815 -1.183 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 80.8 p -136.0 150.35 49.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -1.11 . . . . 0.0 108.967 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.84 130.71 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -108.06 157.49 18.21 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.232 0.539 . . . . 0.0 109.701 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -55.38 -35.44 65.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.035 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.8 tttm -65.81 -41.62 91.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 110.11 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.95 -41.61 91.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 111.551 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' B' ' 200' ' ' ACE . 0.3 OUTLIER -71.13 -55.75 7.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 0.0 110.506 -178.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.3 96.74 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.48 -1.343 . . . . 0.0 109.965 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -61.27 -46.96 88.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.121 -1.223 . . . . 0.0 110.046 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.19 -38.31 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.638 -1.289 . . . . 0.0 109.327 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.562 ' SD ' ' SD ' ' B' ' 201' ' ' MET . 38.3 ttp -63.96 -34.64 78.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -55.38 -33.95 63.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.5 m -59.33 -35.89 74.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 108.88 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.72 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 69.03 35.6 78.99 Favored Glycine 0 N--CA 1.485 1.9 0 O-C-N 121.184 -0.947 . . . . 0.0 111.55 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -114.29 156.48 24.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -1.108 . . . . 0.0 109.747 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 17.0 p30 -143.07 71.9 18.42 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.738 -0.601 . . . . 0.0 109.894 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -76.53 163.39 32.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.827 2.351 . . . . 0.0 112.926 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -103.74 169.24 8.64 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.608 0.718 . . . . 0.0 109.576 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.0 -42.24 93.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.597 -0.69 . . . . 0.0 110.275 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 96.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.084 -1.01 . . . . 0.0 110.604 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.34 -45.28 88.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.595 -1.315 . . . . 0.0 109.761 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.16 -38.15 87.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.464 -0.773 . . . . 0.0 110.695 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -59.85 -46.82 88.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.893 -1.129 . . . . 0.0 109.682 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -61.07 -43.95 98.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.206 -0.934 . . . . 0.0 110.39 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 mtt -60.78 -55.22 35.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 111.111 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -38.56 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.914 -1.116 . . . . 0.0 110.591 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -57.43 -34.97 69.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.62 -18.52 42.15 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.213 -0.929 . . . . 0.0 111.739 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 p -133.06 23.74 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 120.99 -1.069 . . . . 0.0 111.878 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.18 103.58 16.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.604 -1.31 . . . . 0.0 108.453 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 -24.67 17.54 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.009 -1.057 . . . . 0.0 110.872 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 19.5 p30 -89.52 -7.89 53.96 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.75 -1.219 . . . . 0.0 108.909 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.15 24.07 68.49 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.6 p30 -94.44 2.06 55.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.42 -1.047 . . . . 0.0 110.08 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.87 21.21 75.05 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -141.41 160.02 41.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.126 -1.22 . . . . 0.0 107.994 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.3 mt -100.63 121.46 51.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.41 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -91.19 155.04 18.89 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.84 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.2 t80 -45.82 -52.78 23.52 Favored Pre-proline 0 C--N 1.299 -1.603 0 O-C-N 121.338 -0.851 . . . . 0.0 111.978 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.42 -33.62 97.4 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 120.824 1.33 . . . . 0.0 111.379 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.27 -43.39 94.99 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.03 -45.52 93.22 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.638 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.72 -41.0 80.89 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.787 0.803 . . . . 0.0 109.691 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -63.3 -42.75 99.09 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.417 ' O ' ' NZ ' ' B' ' 206' ' ' LYS . 11.5 ttp -63.19 -42.02 99.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.247 -0.908 . . . . 0.0 109.382 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 110.483 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 -25.02 48.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.891 -1.131 . . . . 0.0 108.957 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -51.57 -17.79 0.94 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.362 -0.836 . . . . 0.0 108.928 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' HZ2' ' B' ' 206' ' ' LYS . 63.4 tttm -58.99 -42.41 89.98 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -62.3 -39.36 92.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.798 -0.564 . . . . 0.0 109.68 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.51 -12.73 60.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.011 -1.056 . . . . 0.0 109.8 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 96.2 m-20 52.41 44.53 29.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 110.467 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -60.04 2.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.89 -1.131 . . . . 0.0 109.41 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.93 -10.91 54.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 108.548 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 m -48.57 -37.62 18.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.7 -43.44 98.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.568 -1.332 . . . . 0.0 109.572 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.21 -41.57 73.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.257 -0.902 . . . . 0.0 112.753 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.3 -31.71 65.95 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.498 -1.376 . . . . 0.0 110.613 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.25 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.113 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.84 -38.4 88.8 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.662 -1.274 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.73 -38.71 91.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.15 -35.55 69.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.23 -0.919 . . . . 0.0 110.311 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 36.9 t80 -58.59 -39.42 80.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.886 -1.134 . . . . 0.0 108.662 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.6 -40.02 95.59 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.673 -0.642 . . . . 0.0 110.218 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.91 -41.84 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.12 -0.987 . . . . 0.0 109.39 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -70.7 -41.1 72.42 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.651 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -83.49 85.83 7.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.835 -1.166 . . . . 0.0 110.264 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -67.14 -39.63 86.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.678 -0.639 . . . . 0.0 111.434 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.68 -29.25 68.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.971 -1.08 . . . . 0.0 110.9 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.16 84.71 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.391 -1.385 . . . . 0.0 109.655 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.9 p-10 -69.32 -7.13 34.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.076 -1.249 . . . . 0.0 109.284 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.11 -3.51 85.66 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 62.6 m-85 -134.34 140.93 46.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.6 mt -95.95 122.02 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.841 -1.162 . . . . 0.0 109.829 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -95.11 167.06 11.61 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.238 -0.914 . . . . 0.0 110.96 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.08 98.13 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.74 -0.6 . . . . 0.0 112.193 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -38.25 90.38 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.4 -1.437 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.574 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -63.38 -41.87 98.81 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.647 -0.658 . . . . 0.0 112.042 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.13 -36.48 84.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.031 -1.043 . . . . 0.0 111.633 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -67.18 -33.96 76.51 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.733 -1.23 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.495 ' CE1' HD22 ' A' ' 111' ' ' ASN . 21.2 t60 -57.77 -57.41 12.86 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.17 -0.956 . . . . 0.0 112.829 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.71 -39.41 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.086 -1.009 . . . . 0.0 108.895 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 92.9 mtp -62.55 -38.82 91.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.966 -1.084 . . . . 0.0 110.446 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -66.99 -40.11 87.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.215 -0.928 . . . . 0.0 110.988 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.495 HD22 ' CE1' ' A' ' 107' ' ' HIS . 97.3 m-20 -62.41 -21.52 65.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.74 12.82 30.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.254 -0.904 . . . . 0.0 109.893 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -112.5 144.42 42.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.59 -0.947 . . . . 0.0 109.401 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -157.64 133.3 9.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.914 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -119.53 -172.54 2.34 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -99.81 162.69 12.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.121 -0.987 . . . . 0.0 109.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.68 -39.87 85.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 110.126 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.19 -41.81 97.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.255 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.33 -43.46 97.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -0.854 . . . . 0.0 109.728 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.06 -36.91 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.77 -47.18 87.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.037 -1.04 . . . . 0.0 109.998 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 65.5 mm-40 -64.35 -38.74 92.09 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.198 -0.939 . . . . 0.0 110.495 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.9 mtt -60.78 -40.5 92.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 108.987 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.76 -40.99 79.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.65 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 46.1 ttp180 -60.69 -47.22 87.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.934 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.56 -40.11 73.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.943 -1.098 . . . . 0.0 111.888 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.41 60.14 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.848 -1.157 . . . . 0.0 111.204 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.05 97.37 0.68 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.902 -1.124 . . . . 0.0 110.219 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -48.09 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.0 111.493 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.2 p-10 -74.12 -25.83 59.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.073 -1.017 . . . . 0.0 108.709 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.31 19.51 58.64 Favored Glycine 0 N--CA 1.481 1.636 0 C-N-CA 119.491 -1.338 . . . . 0.0 110.099 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.4 p30 -78.67 -8.98 59.22 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.293 -1.121 . . . . 0.0 110.025 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.0 -9.12 75.84 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.035 -1.078 . . . . 0.0 110.53 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.0 mp0 -131.19 157.19 43.85 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.193 -1.181 . . . . 0.0 108.699 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.36 123.89 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.587 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.65 179.87 4.06 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.068 0.937 . . . . 0.0 110.779 -177.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 10.5 m-85 -60.06 -39.6 86.58 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.27 -49.36 78.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.91 . . . . 0.0 109.776 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.89 -39.98 79.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.242 -0.911 . . . . 0.0 109.319 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -67.56 -42.05 83.24 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.882 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.421 ' O ' ' OG1' ' A' ' 146' ' ' THR . 69.7 t -64.86 -38.76 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 119.99 -1.694 . . . . 0.0 108.492 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -60.65 -38.57 85.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.751 . . . . 0.0 111.233 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.3 mmt -67.32 -36.59 81.77 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.94 -1.1 . . . . 0.0 111.173 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.2 mtp -92.98 3.95 54.85 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.063 -1.023 . . . . 0.0 111.252 -177.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -125.68 53.27 1.58 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.358 -0.839 . . . . 0.0 109.354 178.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.73 145.78 33.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.412 -0.805 . . . . 0.0 109.587 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.931 179.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.476 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . . . . . . 0 C--O 1.212 -0.883 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.562 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 21.7 mmt -59.46 152.65 21.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.226 -0.921 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 39.7 p-10 -53.27 -41.87 65.96 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.169 -1.582 . . . . 0.0 108.474 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.549 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.8 p -75.59 -31.06 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.989 -1.069 . . . . 0.0 110.317 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.426 ' HB3' ' N ' ' B' ' 201' ' ' MET . 1.0 OUTLIER -53.18 -48.86 67.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.671 -1.268 . . . . 0.0 111.527 -178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' MET . . . . . 0.412 ' N ' ' CD2' ' B' ' 204' ' ' PHE . 25.4 ptp -62.49 -32.87 73.84 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.535 -1.353 . . . . 0.0 109.4 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.488 ' HZ2' ' N ' ' A' ' 75' ' ' LYS . 64.8 tttp -63.03 -35.54 80.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.315 -0.866 . . . . 0.0 109.026 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.04 -15.39 28.71 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 17.7 mt -58.7 -44.24 90.25 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.665 -1.491 . . . . 0.0 109.517 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 74.3 m -63.2 -42.0 99.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.091 -1.005 . . . . 0.0 109.787 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -63.88 -40.13 95.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 110.329 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -84.69 -9.91 57.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.373 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -97.68 -106.14 0.18 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 0.0 109.866 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -65.88 -26.03 67.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.927 . . . . 0.0 110.067 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.43 -39.55 97.44 Favored Glycine 0 N--CA 1.498 2.79 0 C-N-CA 119.557 -1.306 . . . . 0.0 110.142 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.14 -12.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.828 -1.396 . . . . 0.0 109.945 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 220' ' ' NH2 . 55.5 t -62.12 -38.53 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.277 -0.889 . . . . 0.0 110.5 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.93 21.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.071 -1.018 . . . . 0.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.98 87.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.613 -1.304 . . . . 0.0 109.176 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -142.63 -34.63 0.44 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 109.423 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' B' ' 216' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.85 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -76.32 -9.83 58.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.206 -0.933 . . . . 0.0 109.237 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -127.66 145.4 50.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.584 -0.697 . . . . 0.0 109.211 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -135.54 150.07 49.63 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -107.91 157.33 18.28 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.965 0.888 . . . . 0.0 111.305 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.25 -35.36 77.05 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.813 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -58.96 -42.15 89.18 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.123 -0.985 . . . . 0.0 109.582 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.64 -42.23 98.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.932 -1.105 . . . . 0.0 110.454 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.38 -44.65 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.686 -1.259 . . . . 0.0 109.812 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.98 -37.81 88.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.058 -1.026 . . . . 0.0 110.287 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.04 -43.44 98.83 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.828 -1.17 . . . . 0.0 110.822 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.07 -29.44 20.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.06 -44.83 95.83 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.082 -1.011 . . . . 0.0 109.297 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.39 -46.78 88.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.395 -0.816 . . . . 0.0 109.073 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.04 -33.61 70.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.448 -0.782 . . . . 0.0 110.261 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.05 -47.23 83.74 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.179 -0.951 . . . . 0.0 111.615 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.7 p -62.89 -21.41 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.839 -1.163 . . . . 0.0 111.102 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -39.79 84.53 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.717 -1.24 . . . . 0.0 109.573 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.42 -38.85 78.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.032 -1.043 . . . . 0.0 109.46 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 49.1 t0 -83.29 83.06 8.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.766 -1.209 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -63.92 -26.81 68.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.271 -0.893 . . . . 0.0 109.783 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.48 -25.26 68.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.0 109.823 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 13.48 78.51 Favored Glycine 0 N--CA 1.497 2.758 0 O-C-N 120.649 -1.282 . . . . 0.0 110.472 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -91.32 3.16 55.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.192 -1.181 . . . . 0.0 109.931 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.74 88.26 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.209 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.5 p -135.37 150.23 49.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -1.151 . . . . 0.0 109.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.91 130.55 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 p -108.0 157.89 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.339 0.59 . . . . 0.0 109.726 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -54.77 -35.1 63.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.185 -0.947 . . . . 0.0 110.54 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' OG1' ' A' ' 34' ' ' THR . 59.6 mtpt -68.01 -39.4 83.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.048 -1.033 . . . . 0.0 109.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.86 -41.93 91.02 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.159 -0.963 . . . . 0.0 111.216 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -56.77 5.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.91 99.19 Favored Glycine 0 N--CA 1.486 1.98 0 C-N-CA 119.248 -1.453 . . . . 0.0 110.027 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.581 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 90.9 m -59.21 -46.28 88.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.666 -1.491 . . . . 0.0 109.265 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.47 -38.73 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.691 -1.256 . . . . 0.0 109.604 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.95 -37.75 86.82 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.633 -1.292 . . . . 0.0 109.324 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' NH2' ' N ' ' A' ' 34' ' ' THR . 78.1 mtm-85 -58.45 -34.11 70.47 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.618 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.5 m -55.18 -34.02 63.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 108.507 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 23.25 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.51 51.46 51.94 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -126.6 157.67 38.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.502 -0.999 . . . . 0.0 109.989 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -141.09 75.15 24.24 Favored Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.51 162.63 27.54 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.942 2.428 . . . . 0.0 112.802 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 p -105.24 162.13 13.68 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.855 0.836 . . . . 0.0 109.732 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.16 94.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.685 -0.635 . . . . 0.0 110.349 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.54 94.95 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 110.116 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.68 -46.45 85.51 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 110.127 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.34 -37.55 83.44 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.286 -0.884 . . . . 0.0 110.297 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -59.77 -45.4 92.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.937 -1.102 . . . . 0.0 109.298 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.85 -44.21 94.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 110.236 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.34 -58.59 7.96 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.942 -1.099 . . . . 0.0 110.717 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -37.31 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.22 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.9 -37.64 74.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.334 -0.854 . . . . 0.0 110.728 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.89 -20.51 63.82 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 111.708 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.3 p -128.01 24.43 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.038 -1.039 . . . . 0.0 111.23 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.6 t0 -90.07 99.85 12.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.767 -1.208 . . . . 0.0 108.916 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.89 17.71 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.26 -0.9 . . . . 0.0 110.509 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 32.0 p30 -92.93 -7.54 45.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.04 -1.038 . . . . 0.0 109.186 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.7 26.0 68.05 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.9 0.38 54.71 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.342 -1.093 . . . . 0.0 109.781 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.84 20.91 74.81 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.521 ' HG1' ' ND2' ' A' ' 60' ' ' ASN . 69.6 p -141.78 160.97 39.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.218 -1.166 . . . . 0.0 108.021 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.9 mt -100.33 122.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.296 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 67.5 m-20 -94.16 159.29 15.21 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -49.65 -45.34 78.78 Favored Pre-proline 0 C--N 1.304 -1.397 0 O-C-N 121.141 -0.975 . . . . 0.0 111.496 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.58 -38.91 47.9 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 CA-C-N 120.894 1.355 . . . . 0.0 110.976 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -44.74 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.06 -45.68 92.44 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.627 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.65 -39.61 84.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.093 0.949 . . . . 0.0 109.366 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -63.85 -42.69 97.51 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.407 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.587 ' SD ' ' NZ ' ' B' ' 206' ' ' LYS . 21.7 ttp -61.83 -41.36 97.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -60.9 -41.05 95.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.411 -0.806 . . . . 0.0 110.809 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.75 -23.89 59.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.834 -1.166 . . . . 0.0 108.391 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -51.67 -18.61 1.24 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.478 -0.764 . . . . 0.0 109.343 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.4 -45.31 88.6 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.9 mpt? -62.4 -42.14 99.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.82 . . . . 0.0 109.619 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.58 -40.82 97.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.923 -1.111 . . . . 0.0 109.824 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.6 t0 60.21 56.18 3.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.656 -0.653 . . . . 0.0 109.565 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.535 ' H ' ' HG1' ' A' ' 79' ' ' THR . 0.0 OUTLIER -95.26 -73.01 0.6 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.218 -0.926 . . . . 0.0 109.652 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -83.11 -15.81 49.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.953 -1.092 . . . . 0.0 108.621 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -49.12 -31.99 9.12 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.49 -43.73 98.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.998 -1.064 . . . . 0.0 109.049 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -66.21 -41.4 90.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.502 -0.749 . . . . 0.0 109.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' OE1' ' CG2' ' B' ' 203' ' ' VAL . 77.5 mm-40 -70.16 -36.14 74.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.259 -0.901 . . . . 0.0 110.052 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 mt -61.27 -40.5 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.0 109.313 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.07 -37.78 86.65 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.809 -1.182 . . . . 0.0 109.817 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.96 -39.39 94.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.769 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.49 41.16 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.142 -0.973 . . . . 0.0 108.993 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -55.3 -40.3 70.92 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.97 -39.24 93.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.88 -40.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.162 -0.961 . . . . 0.0 110.044 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -71.21 -42.1 69.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.185 -0.947 . . . . 0.0 110.549 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -89.14 85.89 6.76 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.82 -1.175 . . . . 0.0 109.85 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.514 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 63.7 pttt -73.53 -22.4 60.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 110.388 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.4 -29.08 67.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.19 -0.944 . . . . 0.0 110.532 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.58 5.0 88.06 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.1 p-10 -69.62 -9.75 55.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.274 . . . . 0.0 109.316 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 4.43 79.73 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.3 m-85 -138.5 144.74 40.13 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.03 123.77 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 120.794 -1.191 . . . . 0.0 108.827 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.9 p -97.39 167.01 11.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.88 95.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.612 -0.68 . . . . 0.0 111.642 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.56 84.79 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.396 -1.44 . . . . 0.0 109.629 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.42 -42.27 98.48 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.153 -0.967 . . . . 0.0 111.948 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.31 -34.31 77.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.882 -1.136 . . . . 0.0 110.782 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' OG1' ' A' ' 110' ' ' THR . 84.0 mtp180 -66.81 -34.27 77.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.032 -1.043 . . . . 0.0 110.676 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.514 ' CD2' ' NZ ' ' A' ' 94' ' ' LYS . 6.9 t60 -65.8 -58.54 5.4 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.41 -44.57 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.231 -0.918 . . . . 0.0 110.234 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.461 ' SD ' ' C ' ' A' ' 109' ' ' MET . 4.5 ppp? -65.23 -23.83 67.17 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.55 -1.343 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.2 m -70.56 -40.65 73.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.658 -1.276 . . . . 0.0 110.084 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -66.9 -20.5 65.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.374 -0.829 . . . . 0.0 110.443 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.29 7.85 38.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.987 -1.071 . . . . 0.0 109.887 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.39 79.35 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.185 -1.007 . . . . 0.0 110.778 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.4 135.43 37.04 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.114 -1.227 . . . . 0.0 109.343 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -132.21 101.33 5.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.607 -0.683 . . . . 0.0 110.233 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.05 173.59 6.26 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.9 p -101.02 163.97 12.03 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.3 -0.875 . . . . 0.0 108.77 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.61 -38.67 81.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.088 -1.008 . . . . 0.0 109.649 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.03 -41.12 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.122 -0.986 . . . . 0.0 109.175 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.5 -43.12 99.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.249 -0.907 . . . . 0.0 109.419 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.63 -36.12 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.27 -45.35 94.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.091 -1.006 . . . . 0.0 110.177 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.46 -38.59 91.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.041 -1.037 . . . . 0.0 110.342 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.4 mtt -61.07 -39.56 90.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.205 -0.934 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.89 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 108.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.56 -45.22 94.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.932 -1.105 . . . . 0.0 110.625 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.29 -39.3 92.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.154 -0.966 . . . . 0.0 111.589 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.95 -5.96 59.14 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.787 -1.196 . . . . 0.0 110.82 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -81.63 88.97 6.2 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.847 -1.158 . . . . 0.0 110.136 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.93 -44.69 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.342 -0.849 . . . . 0.0 111.44 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.3 p-10 -77.79 -24.28 48.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.107 . . . . 0.0 109.015 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.552 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.28 22.9 58.08 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -77.43 -10.54 59.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.362 -1.081 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.81 -11.2 69.6 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.8 mp0 -130.91 166.22 21.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.309 -1.112 . . . . 0.0 108.47 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.82 124.48 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.601 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.54 -179.29 3.83 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.964 0.887 . . . . 0.0 110.436 -178.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.6 m-85 -59.08 -39.3 81.7 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.49 -50.45 73.52 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.394 -0.816 . . . . 0.0 109.63 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -68.56 -40.64 80.52 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.969 -1.082 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.89 -46.93 85.55 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.772 -0.58 . . . . 0.0 110.899 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.97 -42.27 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 119.942 -1.724 . . . . 0.0 107.674 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -62.19 -39.8 93.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 110.77 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.6 ttp -63.1 -37.6 87.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.832 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.3 mmm -84.19 -12.5 54.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.203 -0.935 . . . . 0.0 111.839 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.27 56.39 1.35 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.94 -1.1 . . . . 0.0 108.901 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.8 141.54 37.88 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.376 -0.828 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.308 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.743 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 16.4 mmt -99.76 16.21 24.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.541 -0.724 . . . . 0.0 109.868 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 42.8 p-10 -56.33 -34.17 66.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.969 -1.082 . . . . 0.0 109.067 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.56 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 4.2 p -72.8 -6.43 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.461 -0.775 . . . . 0.0 110.453 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.5 -48.32 72.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.321 -1.487 . . . . 0.0 110.644 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.03 -46.07 90.79 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 120.612 -1.305 . . . . 0.0 109.747 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.587 ' NZ ' ' SD ' ' A' ' 71' ' ' MET . 37.6 mmtm -67.4 -39.81 85.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -62.37 -39.56 97.92 Favored Glycine 0 N--CA 1.485 1.961 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' B' ' 208' ' ' LEU . 0.3 OUTLIER -42.9 -35.95 1.36 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.425 -1.044 . . . . 0.0 108.716 -179.295 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 206' ' ' LYS . 94.9 p -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.29 -0.881 . . . . 0.0 109.86 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' B' ' 207' ' ' GLY . 73.9 mmtt -101.57 -3.36 28.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.822 . . . . 0.0 110.211 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -89.63 -10.52 45.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.976 -1.078 . . . . 0.0 109.942 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.46 118.81 16.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.393 -0.817 . . . . 0.0 109.966 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -173.16 -93.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.497 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -61.15 -39.87 97.75 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -5.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.903 -1.351 . . . . 0.0 109.689 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.497 ' H ' ' C ' ' B' ' 214' ' ' GLY . 46.6 t -61.17 -38.26 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.306 -0.871 . . . . 0.0 110.682 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.922 -1.111 . . . . 0.0 111.236 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.16 92.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.479 -1.388 . . . . 0.0 109.382 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -143.2 124.97 15.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.385 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -85.3 0.01 53.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -62.85 -42.11 99.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 0.0 109.324 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.79 144.33 45.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.202 -0.936 . . . . 0.0 108.873 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -109.22 157.13 19.1 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.595 0.712 . . . . 0.0 110.497 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 3.7 pm0 -65.38 -29.45 70.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.53 -0.731 . . . . 0.0 110.415 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.66 -37.75 76.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.124 -0.985 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.68 -40.3 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.14 -0.975 . . . . 0.0 110.105 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.03 -40.06 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.818 -1.176 . . . . 0.0 109.49 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.74 79.1 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.94 -1.1 . . . . 0.0 109.593 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.96 -44.11 97.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.979 -1.076 . . . . 0.0 110.705 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.3 -21.08 25.96 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.845 -1.16 . . . . 0.0 109.857 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.47 -43.47 97.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.797 -1.19 . . . . 0.0 109.047 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.52 -45.8 92.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 0.0 108.879 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.49 84.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.138 -0.976 . . . . 0.0 109.27 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.32 -45.22 84.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.251 -0.906 . . . . 0.0 110.869 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.88 -22.73 66.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.975 -1.078 . . . . 0.0 111.705 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -43.02 83.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.361 -1.462 . . . . 0.0 110.056 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.64 -38.07 77.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.003 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 52.3 t0 -83.83 81.04 8.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.823 -1.173 . . . . 0.0 109.718 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.03 -22.12 66.42 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.209 -0.932 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.12 -30.69 71.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.398 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.2 4.26 88.82 Favored Glycine 0 N--CA 1.496 2.664 0 O-C-N 120.362 -1.462 . . . . 0.0 110.096 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -87.86 3.07 49.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -1.125 . . . . 0.0 109.852 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 11.57 85.08 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.478 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 64.9 p -137.36 149.84 47.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -1.16 . . . . 0.0 108.914 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 130.48 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 121.789 0.804 . . . . 0.0 108.926 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.4 p -109.31 159.08 17.26 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -56.82 -35.03 68.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.24 -0.913 . . . . 0.0 110.145 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.7 tttt -64.81 -42.22 95.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.92 . . . . 0.0 109.846 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 42.4 mt-10 -64.98 -43.81 91.41 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.404 -0.81 . . . . 0.0 111.159 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -50.91 27.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.142 -0.974 . . . . 0.0 109.549 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.24 97.27 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.234 -1.46 . . . . 0.0 110.126 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 87.1 m -59.8 -46.63 88.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.835 -1.391 . . . . 0.0 109.713 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.89 -32.33 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.848 -1.158 . . . . 0.0 108.653 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 ttt -60.75 -33.54 73.08 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.935 -1.103 . . . . 0.0 109.453 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -59.71 -30.23 68.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -58.34 -37.41 75.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.92 13.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 0.0 108.903 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 62.74 41.57 99.82 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.222 -0.99 . . . . 0.0 110.862 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -114.99 160.8 19.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.472 -1.017 . . . . 0.0 109.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -141.5 68.64 25.8 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.706 -0.621 . . . . 0.0 109.477 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -77.28 166.09 26.77 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 123.099 2.533 . . . . 0.0 112.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -102.78 160.83 14.24 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.772 0.796 . . . . 0.0 109.797 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.79 -42.83 98.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.76 -0.588 . . . . 0.0 110.7 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.835 -1.166 . . . . 0.0 110.127 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.78 -44.23 94.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.83 -1.169 . . . . 0.0 110.256 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.17 -37.66 84.1 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.317 -0.865 . . . . 0.0 109.487 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.734 HE22 HD22 ' A' ' 53' ' ' ASN . 18.0 tm0? -60.6 -40.25 91.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 108.511 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -62.17 -43.55 98.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.84 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 14.1 mtt -60.1 -51.08 71.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.895 -1.128 . . . . 0.0 110.319 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.24 -34.67 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.985 -1.072 . . . . 0.0 109.625 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.734 HD22 HE22 ' A' ' 49' ' ' GLN . 21.1 m-20 -55.87 -26.08 45.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.937 -1.102 . . . . 0.0 110.214 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.93 -26.52 68.24 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.959 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 12.9 p -135.66 37.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.002 -1.061 . . . . 0.0 111.547 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -94.8 104.22 16.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.71 -1.244 . . . . 0.0 109.196 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.87 -24.44 17.73 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.048 -1.032 . . . . 0.0 110.525 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.0 p30 -92.43 -10.01 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.214 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.77 25.66 69.28 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -96.5 2.83 52.84 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.379 -1.071 . . . . 0.0 110.598 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.63 21.34 74.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.486 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.3 p -141.01 161.48 37.75 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.81 122.66 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -89.2 153.15 21.16 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.879 -1.129 . . . . 0.0 108.021 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -47.09 -46.53 54.92 Favored Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 111.597 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.2 -36.99 77.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 CA-C-N 121.151 1.447 . . . . 0.0 111.045 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.18 -43.37 98.98 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 32.4 t80 -60.98 -44.73 96.94 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.662 0.744 . . . . 0.0 110.379 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.23 -41.68 93.63 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.779 0.799 . . . . 0.0 110.037 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.3 m -61.07 -42.59 98.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.3 ttp -63.67 -37.12 86.15 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.831 -0.747 . . . . 0.0 109.23 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 68' ' ' PHE . 2.4 mtp -59.97 -43.48 95.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.038 -1.038 . . . . 0.0 109.855 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.23 -22.74 47.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.777 -1.202 . . . . 0.0 108.837 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.46 HH11 ' HG1' ' A' ' 79' ' ' THR . 63.5 ttm-85 -59.67 -21.84 61.11 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.599 -0.688 . . . . 0.0 110.463 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.6 -42.86 75.44 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.092 -1.005 . . . . 0.0 108.362 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 2.0 mpt? -60.77 -38.51 85.5 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.82 -22.43 62.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.149 -0.97 . . . . 0.0 109.392 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 82' ' ' GLU . 13.4 t70 58.35 55.13 5.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 109.889 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.46 ' HG1' HH11 ' A' ' 74' ' ' ARG . 0.1 OUTLIER -91.97 -65.1 1.03 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.0 -1.063 . . . . 0.0 109.768 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -83.04 -12.24 57.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.976 -1.077 . . . . 0.0 108.162 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.487 ' HG ' ' NZ ' ' B' ' 206' ' ' LYS . 73.9 m -48.8 -37.58 19.59 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 78' ' ' ASP . 58.3 mp0 -61.28 -41.47 97.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 109.214 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.19 -45.71 87.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.127 -0.983 . . . . 0.0 109.784 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' B' ' 207' ' ' GLY . 40.7 tt0 -67.56 -39.83 84.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -0.943 . . . . 0.0 110.556 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.2 -46.18 97.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.6 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -67.71 -39.0 84.39 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.581 -1.325 . . . . 0.0 110.018 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -68.03 -38.99 83.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.949 -1.095 . . . . 0.0 110.115 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.16 62.39 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.237 -0.914 . . . . 0.0 110.079 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.1 t80 -57.36 -40.59 78.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 108.913 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.88 -39.48 94.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.555 -0.715 . . . . 0.0 110.179 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.36 -40.0 63.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.305 -0.872 . . . . 0.0 109.681 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.2 -42.76 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.141 -0.974 . . . . 0.0 110.43 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -88.61 86.09 6.94 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.861 -1.149 . . . . 0.0 110.328 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -76.82 -23.09 52.79 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.058 -1.026 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 96.4 m-20 -68.54 -29.67 68.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.952 -1.093 . . . . 0.0 110.536 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.41 5.6 87.78 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.1 p-10 -69.55 -8.24 45.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.786 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.59 -2.18 86.04 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.8 m-85 -132.86 140.84 48.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -94.14 130.91 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.961 -1.087 . . . . 0.0 109.924 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 p -107.3 165.97 10.99 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.982 0.896 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.0 90.49 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.876 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.09 84.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.309 -1.494 . . . . 0.0 108.539 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.4 mt-10 -61.69 -40.04 93.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.269 -0.895 . . . . 0.0 109.717 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.18 -41.02 86.62 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 111.704 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.453 ' O ' ' OG1' ' A' ' 110' ' ' THR . 90.4 mtm180 -63.02 -37.03 85.58 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 120.314 -1.491 . . . . 0.0 110.171 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.3 -61.92 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.227 -0.921 . . . . 0.0 112.351 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.68 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.327 -0.858 . . . . 0.0 110.071 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 99.7 mtp -63.54 -39.43 94.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.848 -1.157 . . . . 0.0 110.405 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.3 m -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.214 -0.928 . . . . 0.0 110.253 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -36.49 84.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 111.613 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.19 -3.97 25.04 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.208 -0.932 . . . . 0.0 111.029 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.01 -94.74 0.18 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -174.03 160.55 3.5 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.465 -1.609 . . . . 0.0 108.432 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.15 133.76 51.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -109.97 -172.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.9 p -101.92 159.52 15.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.967 -1.083 . . . . 0.0 109.137 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -57.58 -40.3 78.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 109.909 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.99 -42.45 94.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.041 -1.037 . . . . 0.0 109.663 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -61.43 -45.23 95.19 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.201 -0.937 . . . . 0.0 110.101 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.75 -32.83 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.543 -0.723 . . . . 0.0 109.136 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.58 -43.0 97.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.067 -1.021 . . . . 0.0 109.491 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -39.0 92.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.853 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.3 ttt -58.79 -40.11 83.08 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.027 -1.046 . . . . 0.0 109.239 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.81 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.382 -0.823 . . . . 0.0 109.7 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.5 -45.81 90.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.917 -1.114 . . . . 0.0 111.283 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.16 -38.99 93.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.99 -1.069 . . . . 0.0 111.316 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 0.21 57.37 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.889 -1.132 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -81.3 83.57 6.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.217 . . . . 0.0 110.534 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.07 -43.96 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.131 -0.981 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.8 p30 -76.2 -25.43 55.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.77 20.46 63.54 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 48.9 p-10 -81.11 -4.21 54.55 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.361 -1.082 . . . . 0.0 110.103 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.78 -0.14 83.06 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -138.15 159.14 42.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.189 -1.183 . . . . 0.0 108.5 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.8 t -98.54 121.92 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.599 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.57 -178.62 3.7 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.716 0.769 . . . . 0.0 109.922 -178.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 9.1 m-85 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -60.64 -50.79 72.09 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.442 -0.787 . . . . 0.0 109.852 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.031 -1.043 . . . . 0.0 109.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.61 -47.43 81.42 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.689 -0.632 . . . . 0.0 110.792 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.436 ' O ' ' OG1' ' A' ' 146' ' ' THR . 94.1 t -71.01 -43.43 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 119.992 -1.692 . . . . 0.0 108.052 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.88 -40.17 96.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.374 -0.828 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.12 -48.17 82.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 109.962 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.2 mtp -73.25 -39.1 65.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.338 -0.851 . . . . 0.0 112.198 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -72.24 55.56 0.32 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.568 -1.333 . . . . 0.0 109.945 -178.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.62 138.58 42.54 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.047 -179.767 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.505 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.213 -0.824 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.25 39.72 0.84 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 51.3 p-10 -64.06 -32.79 74.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.633 -1.292 . . . . 0.0 109.723 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.541 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.1 p -70.97 -32.43 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.816 -1.178 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.465 ' CD2' ' N ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -55.5 -48.8 74.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.545 -1.347 . . . . 0.0 111.051 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' MET . . . . . 0.465 ' N ' ' CD2' ' B' ' 204' ' ' PHE . 23.5 ptp -65.17 -20.09 66.28 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.544 -1.348 . . . . 0.0 110.061 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.487 ' NZ ' ' HG ' ' A' ' 81' ' ' SER . 65.5 tttm -62.07 -43.33 99.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.006 -1.058 . . . . 0.0 110.173 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.544 ' N ' ' OE2' ' A' ' 84' ' ' GLU . . . -60.38 -40.09 97.09 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' B' ' 208' ' ' LEU . 0.3 OUTLIER -45.61 -34.32 3.34 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.301 -1.117 . . . . 0.0 108.828 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.1 m -63.15 -42.72 99.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.067 -1.02 . . . . 0.0 109.265 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.58 -40.45 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.552 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -77.31 -17.51 58.26 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.301 -0.875 . . . . 0.0 109.675 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' B' ' 213' ' ' GLU . 88.0 tttt -104.23 124.54 49.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.482 -0.761 . . . . 0.0 109.359 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' B' ' 212' ' ' LYS . 4.3 tm-20 71.7 -52.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.441 -0.787 . . . . 0.0 109.398 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.99 -39.63 97.32 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.96 -13.32 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 120.819 -1.401 . . . . 0.0 109.786 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.97 -38.81 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.185 -0.947 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -51.52 -17.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.932 . . . . 0.0 109.999 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.05 88.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 109.328 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -175.68 109.09 0.1 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 109.448 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -85.54 75.04 10.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.96 . . . . 0.0 109.419 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -96.18 -1.03 49.19 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.483 -0.761 . . . . 0.0 109.435 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.2 tp -136.81 150.13 48.15 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -108.12 156.75 18.95 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.615 0.722 . . . . 0.0 110.852 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -63.66 -20.12 65.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.662 -0.649 . . . . 0.0 110.249 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.02 -39.42 83.14 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.809 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -66.21 -39.62 89.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 110.514 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.519 -1.363 . . . . 0.0 108.802 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.0 89.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.105 -0.997 . . . . 0.0 109.983 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.05 -43.44 98.82 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.836 -1.165 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.5 -28.12 22.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.869 -1.144 . . . . 0.0 110.857 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.76 -44.26 96.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.986 -1.071 . . . . 0.0 109.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.83 -46.95 87.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 108.855 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.13 73.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 0.0 110.032 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 82.1 t80 -59.09 -47.63 84.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.066 -1.021 . . . . 0.0 111.792 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.05 -22.37 65.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.835 -1.166 . . . . 0.0 111.089 -177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -39.55 90.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.794 -1.191 . . . . 0.0 109.756 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.35 -38.76 78.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.99 -1.069 . . . . 0.0 109.963 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -82.69 83.49 7.64 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.672 -1.267 . . . . 0.0 109.83 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -62.59 -29.35 70.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.28 -0.887 . . . . 0.0 109.881 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.41 -26.77 68.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 0.0 110.031 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.65 78.71 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 120.507 -1.371 . . . . 0.0 110.532 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -92.32 5.1 51.84 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.121 -1.223 . . . . 0.0 109.963 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.78 7.98 88.06 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.384 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.3 p -135.87 151.36 49.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.26 -1.141 . . . . 0.0 109.16 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.2 mt -105.49 130.53 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -107.71 158.5 17.22 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.373 0.606 . . . . 0.0 109.913 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 p -55.47 -36.47 66.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.225 -0.922 . . . . 0.0 110.455 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.8 tttt -65.66 -41.72 92.21 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.128 -0.982 . . . . 0.0 109.939 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.55 -41.85 92.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.293 -0.88 . . . . 0.0 111.474 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -56.44 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.057 -1.027 . . . . 0.0 110.268 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.6 99.15 Favored Glycine 0 N--CA 1.485 1.937 0 C-N-CA 119.444 -1.36 . . . . 0.0 110.174 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 90.5 m -59.95 -46.89 87.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.017 -1.284 . . . . 0.0 109.464 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.08 -38.88 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.667 -1.271 . . . . 0.0 109.231 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.32 -33.52 75.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.951 -1.093 . . . . 0.0 108.874 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -58.17 -36.36 72.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.36 -0.838 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.6 m -56.07 -34.21 65.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.224 -0.922 . . . . 0.0 108.575 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.39 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.62 55.05 22.28 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -126.11 152.51 45.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.446 -1.032 . . . . 0.0 109.749 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -140.61 66.04 27.14 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.45 162.87 30.33 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 123.039 2.492 . . . . 0.0 112.395 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -99.72 160.8 14.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.399 -0.813 . . . . 0.0 109.773 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -60.74 -43.25 98.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.672 -0.642 . . . . 0.0 110.373 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.15 93.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.104 -0.997 . . . . 0.0 110.033 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.34 -45.29 91.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.39 -38.16 86.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.249 -0.907 . . . . 0.0 110.38 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.64 HE22 ' ND2' ' A' ' 53' ' ' ASN . 14.2 tm0? -60.24 -40.36 89.99 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 108.461 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.96 -47.24 85.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.476 -0.765 . . . . 0.0 110.311 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.11 -56.83 15.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.079 . . . . 0.0 110.434 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -35.79 69.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.568 -0.708 . . . . 0.0 110.044 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.64 ' ND2' HE22 ' A' ' 49' ' ' GLN . 6.6 m-20 -59.11 -26.13 64.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.76 -24.88 67.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.135 -0.978 . . . . 0.0 111.26 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.52 32.74 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 120.959 -1.088 . . . . 0.0 111.565 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.0 t0 -91.13 102.4 15.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.611 -1.305 . . . . 0.0 108.968 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.71 -23.8 18.09 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.08 -1.012 . . . . 0.0 110.316 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.536 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 29.8 p30 -92.61 -6.84 48.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.96 -1.088 . . . . 0.0 109.054 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.4 26.61 64.45 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.536 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.8 p-10 -96.09 2.51 53.3 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.317 -1.108 . . . . 0.0 110.449 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.41 19.86 74.81 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.489 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 70.5 p -140.45 160.9 38.98 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.176 -1.19 . . . . 0.0 107.81 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.89 122.24 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.46 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -91.21 155.67 18.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.084 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 27.4 t80 -46.83 -52.9 29.47 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.289 -0.882 . . . . 0.0 111.707 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 16.8 Cg_endo -57.39 -35.95 98.85 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 CA-C-N 120.696 1.284 . . . . 0.0 111.382 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.15 -44.55 91.79 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 51.6 t80 -62.1 -46.93 86.9 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.074 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.9 tp -59.09 -39.79 83.28 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.942 0.877 . . . . 0.0 109.738 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.2 m -64.39 -43.51 94.23 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.193 0.52 . . . . 0.0 109.801 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ttp -62.4 -42.66 99.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.165 -0.959 . . . . 0.0 109.342 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.88 -41.7 96.48 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.52 -0.738 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -29.16 52.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.764 -1.21 . . . . 0.0 109.153 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' ASP . 41.9 ttm180 -62.87 -43.18 99.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.449 -0.782 . . . . 0.0 110.403 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.731 ' HZ3' ' H ' ' B' ' 210' ' ' LYS . 87.8 tttt -59.3 -45.97 89.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 108.903 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmm -64.5 -36.51 84.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.167 -0.958 . . . . 0.0 109.786 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.35 10.42 40.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.783 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 74' ' ' ARG . 22.2 t0 -156.63 179.95 8.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.011 -1.056 . . . . 0.0 109.361 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -141.9 47.2 1.64 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.587 -0.696 . . . . 0.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -69.26 -8.9 50.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.6 p -77.64 3.92 12.67 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.54 -46.58 80.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.467 -0.771 . . . . 0.0 109.514 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.4 -39.65 91.47 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.639 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 55.6 mp0 -70.43 -28.11 64.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.662 -0.649 . . . . 0.0 109.961 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.1 -42.76 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -66.3 -36.7 83.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.773 -1.205 . . . . 0.0 110.008 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' B' ' 202' ' ' ASP . 88.1 tt0 -62.53 -39.69 94.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.44 -27.95 40.77 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 30.8 t80 -56.77 -39.86 74.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.382 -0.824 . . . . 0.0 109.225 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.91 88.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.075 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.82 -41.37 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 0.0 109.758 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.99 -39.57 69.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 110.017 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -82.5 81.43 8.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.986 -1.071 . . . . 0.0 110.666 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -63.69 -43.24 97.24 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.313 -0.867 . . . . 0.0 111.531 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 56.5 p30 -68.68 -26.31 65.23 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.793 -1.192 . . . . 0.0 111.056 -177.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.34 15.21 81.64 Favored Glycine 0 N--CA 1.487 2.059 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.978 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.1 p-10 -69.15 -5.75 24.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.854 -1.38 . . . . 0.0 108.47 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.65 3.58 80.66 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.479 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 45.3 m-85 -138.78 143.89 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.54 128.79 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.745 -1.222 . . . . 0.0 109.577 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -106.06 165.64 11.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.988 0.899 . . . . 0.0 110.746 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.55 92.17 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.838 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.2 86.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.378 -1.451 . . . . 0.0 108.497 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.58 -41.05 96.85 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.107 -0.996 . . . . 0.0 109.88 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -40.3 90.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.268 -0.895 . . . . 0.0 110.263 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 59.5 ttp180 -62.09 -39.5 92.66 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.618 -1.301 . . . . 0.0 110.102 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.26 -60.76 2.81 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.297 -0.877 . . . . 0.0 112.535 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.34 -40.99 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.173 -0.954 . . . . 0.0 109.623 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.3 mtp -63.32 -38.29 90.59 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 110.17 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.8 m -66.09 -40.73 91.02 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.209 -0.932 . . . . 0.0 111.338 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.45 -22.27 66.91 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.106 -0.996 . . . . 0.0 111.553 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.5 mt -89.11 9.4 25.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.797 -1.19 . . . . 0.0 110.18 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.31 11.08 83.84 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -106.79 137.38 44.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.614 -0.933 . . . . 0.0 109.035 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -143.63 122.13 12.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.422 -0.799 . . . . 0.0 109.477 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.26 -179.27 3.59 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.2 p -101.16 164.3 11.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 108.939 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -59.39 -39.23 82.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.255 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -62.08 -40.08 94.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.03 -1.044 . . . . 0.0 109.344 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.93 -43.16 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.615 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -72.42 -35.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.36 -41.52 89.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.087 -1.008 . . . . 0.0 109.251 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.34 -39.04 91.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.977 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.005 -1.059 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.47 -44.56 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.721 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -60.74 -45.42 94.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.985 . . . . 0.0 110.903 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.53 -38.6 87.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.963 -1.086 . . . . 0.0 111.391 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.73 0.88 56.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.804 -1.185 . . . . 0.0 110.853 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.27 83.89 7.28 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.655 -1.278 . . . . 0.0 111.108 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.13 -44.07 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.19 -0.943 . . . . 0.0 110.848 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.6 p-10 -76.45 -25.75 54.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 109.085 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.51 20.71 63.55 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.451 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.1 p-10 -79.98 -7.6 58.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.333 -1.098 . . . . 0.0 110.285 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 86.42 -7.04 80.57 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.848 -1.168 . . . . 0.0 110.21 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.5 mp0 -131.4 170.4 14.72 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.269 -1.136 . . . . 0.0 108.591 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.92 125.07 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.595 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 -179.06 3.77 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.912 0.863 . . . . 0.0 110.464 -178.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.4 m-85 -59.45 -40.02 85.46 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -60.62 -50.37 73.77 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.381 -0.825 . . . . 0.0 109.653 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.71 -40.71 84.26 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.237 -0.915 . . . . 0.0 109.359 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.54 -48.2 80.54 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.868 -0.52 . . . . 0.0 110.673 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.1 t -71.51 -44.24 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.593 0 O-C-N 119.925 -1.735 . . . . 0.0 108.435 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -61.68 -41.46 97.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.329 -0.857 . . . . 0.0 110.053 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.93 -42.92 99.65 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' ' NZ ' ' B' ' 210' ' ' LYS . 5.1 mmt -69.18 -39.22 78.83 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.206 -0.934 . . . . 0.0 112.178 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.64 56.83 0.28 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.602 -1.311 . . . . 0.0 109.382 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -106.55 141.56 37.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 109.311 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.023 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.434 ' CH3' ' OE2' ' A' ' 87' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 0.8 OUTLIER -114.08 -7.58 13.06 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.759 -0.588 . . . . 0.0 110.077 . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.545 ' N ' ' SD ' ' B' ' 201' ' ' MET . 37.0 p-10 -57.94 -34.38 69.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.868 -1.145 . . . . 0.0 108.918 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.531 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.5 p -62.93 -8.14 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.598 -0.689 . . . . 0.0 110.507 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.69 -48.58 74.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.082 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.5 mtp -65.72 -43.32 89.42 Favored 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.518 -1.364 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.51 -38.87 77.76 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.106 -0.996 . . . . 0.0 111.05 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' B' ' 208' ' ' LEU . . . -75.26 0.14 60.23 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.8 OUTLIER -36.38 -58.13 0.71 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.574 -0.957 . . . . 0.0 111.143 -178.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.2 m -66.27 -40.11 89.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.674 -1.266 . . . . 0.0 110.181 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.731 ' H ' ' HZ3' ' A' ' 75' ' ' LYS . 66.3 mmtt -63.22 -37.01 85.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.376 -0.827 . . . . 0.0 110.565 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.01 64.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.901 -1.124 . . . . 0.0 109.932 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -142.08 128.89 20.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.81 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.408 ' CG ' ' H ' ' B' ' 214' ' ' GLY . 2.5 pt-20 -177.85 -104.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.408 ' H ' ' CG ' ' B' ' 213' ' ' GLU . . . -61.37 -39.42 97.23 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 1.4 p -52.14 -16.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.0 -1.294 . . . . 0.0 110.011 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.27 -42.17 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.246 -0.909 . . . . 0.0 111.451 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.11 75.09 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 111.634 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -67.89 -40.14 83.55 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.508 -1.37 . . . . 0.0 109.814 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -125.2 -95.83 0.45 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.701 -0.624 . . . . 0.0 109.389 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.315 0.579 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.67 -7.23 59.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 4' ' ' LEU . 24.9 tm0? -89.32 122.24 32.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.0 109.29 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 9.1 tp -96.72 142.16 29.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.458 -0.776 . . . . 0.0 109.331 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 61.2 p -109.73 157.52 19.04 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-O 121.688 0.756 . . . . 0.0 110.682 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.38 -39.91 94.78 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.706 -0.621 . . . . 0.0 110.053 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.84 -41.09 97.39 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.071 -1.018 . . . . 0.0 110.303 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 72.2 mt-30 -61.42 -40.09 93.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.102 -0.999 . . . . 0.0 110.02 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.15 -40.01 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.594 -1.316 . . . . 0.0 109.64 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.97 76.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.924 -1.11 . . . . 0.0 109.837 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.79 -42.51 97.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.812 -1.18 . . . . 0.0 110.331 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.96 -19.26 29.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.911 -1.118 . . . . 0.0 109.752 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.32 -43.21 98.44 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.798 -1.189 . . . . 0.0 109.206 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.83 -43.48 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.078 -1.014 . . . . 0.0 109.255 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.55 84.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.935 . . . . 0.0 109.188 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 -45.28 86.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 0.0 111.34 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.32 -39.3 82.63 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.059 -1.026 . . . . 0.0 111.503 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -42.07 63.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.72 -1.237 . . . . 0.0 110.502 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -67.66 -38.69 84.15 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.796 -1.19 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 52.2 t0 -84.05 82.98 8.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.676 -1.265 . . . . 0.0 109.711 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -63.34 -25.38 68.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.251 -0.906 . . . . 0.0 110.083 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.36 -28.8 70.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.987 -1.071 . . . . 0.0 110.131 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.83 85.12 Favored Glycine 0 N--CA 1.498 2.795 0 O-C-N 120.532 -1.355 . . . . 0.0 110.129 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -91.59 5.15 50.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.453 -1.028 . . . . 0.0 109.793 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 12.52 84.52 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 72.9 p -137.68 149.82 46.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.183 -1.187 . . . . 0.0 109.205 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -105.67 130.56 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 CA-C-O 121.715 0.769 . . . . 0.0 109.087 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.6 p -107.43 158.28 17.31 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.9 p -55.65 -35.72 66.25 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.15 -0.969 . . . . 0.0 110.121 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' O ' ' OG1' ' A' ' 34' ' ' THR . 27.4 ttpp -64.73 -42.35 95.28 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.0 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.98 -42.07 90.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.853 . . . . 0.0 111.384 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -56.04 6.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.037 . . . . 0.0 110.223 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.07 96.44 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.056 -1.545 . . . . 0.0 109.88 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 94.0 m -59.88 -46.17 90.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.985 -1.303 . . . . 0.0 109.098 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.14 -38.41 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.68 -1.262 . . . . 0.0 108.978 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.569 ' SD ' ' SD ' ' B' ' 201' ' ' MET . 10.5 ttp -65.1 -27.6 68.86 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 108.815 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -60.94 -37.74 83.41 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.329 -0.857 . . . . 0.0 109.686 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.626 ' C ' ' H ' ' A' ' 40' ' ' GLY . 46.2 t -57.8 -35.25 70.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 108.766 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.33 16.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.626 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.85 36.37 92.07 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.063 -1.023 . . . . 0.0 110.582 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -110.75 154.69 23.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.521 -0.988 . . . . 0.0 109.803 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -138.59 68.71 45.3 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.69 163.74 28.8 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 123.049 2.499 . . . . 0.0 112.825 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 p -105.69 165.25 11.3 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.735 0.779 . . . . 0.0 109.574 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.07 -42.02 93.66 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.643 -0.661 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.91 95.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.32 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.34 -45.22 88.8 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.952 -1.092 . . . . 0.0 110.221 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.08 -35.52 80.0 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.368 -0.833 . . . . 0.0 109.558 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -58.72 -48.43 81.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 0.0 109.806 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.05 -1.031 . . . . 0.0 109.73 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.3 mtt -60.98 -51.63 68.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.112 -0.993 . . . . 0.0 110.674 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -40.06 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.978 -1.076 . . . . 0.0 110.495 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.29 -36.25 75.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.534 -0.729 . . . . 0.0 110.236 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.88 -24.08 61.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.187 -0.946 . . . . 0.0 111.71 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.75 16.31 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 O-C-N 121.249 -0.907 . . . . 0.0 111.296 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 64.4 t0 -85.69 105.92 16.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.692 -1.255 . . . . 0.0 109.146 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.45 -24.16 17.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.22 -0.925 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 37.0 p30 -90.81 -6.63 54.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.887 -1.133 . . . . 0.0 109.439 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.26 24.95 66.02 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.5 p-10 -92.88 0.1 57.34 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -1.148 . . . . 0.0 109.62 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.45 17.37 77.72 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.07 161.54 37.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.164 -1.198 . . . . 0.0 107.951 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.52 122.19 53.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -92.21 153.28 19.39 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.002 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -43.54 -52.2 14.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 O-C-N 121.327 -0.858 . . . . 0.0 112.095 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.67 -32.8 96.41 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 CA-C-N 120.921 1.365 . . . . 0.0 111.469 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.97 -43.76 91.58 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -60.94 -44.43 97.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.423 0.63 . . . . 0.0 110.013 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.6 -39.22 79.8 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.32 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -62.04 -44.05 97.54 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.0 -41.05 97.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.189 -0.944 . . . . 0.0 109.638 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.54 -44.03 93.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.936 . . . . 0.0 110.873 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.54 -23.71 42.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.848 -1.157 . . . . 0.0 108.669 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -58.18 -26.56 62.93 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.692 -0.63 . . . . 0.0 110.147 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 38.7 ttpt -57.1 -44.27 83.05 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 109.07 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtt -61.4 -43.65 98.51 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 108.912 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -70.17 -37.3 75.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 47.6 m-20 60.12 51.81 5.46 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.337 0.589 . . . . 0.0 109.687 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -69.94 0.59 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.336 -0.853 . . . . 0.0 110.077 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 81' ' ' SER . 57.8 p-10 -81.2 -16.37 52.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 90.8 p -55.79 -24.63 36.93 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.183 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.59 -41.99 91.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.77 -39.42 93.58 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.473 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.08 -18.76 61.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mt -61.05 -43.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.908 -1.12 . . . . 0.0 108.657 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -65.41 -39.27 91.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.642 -1.286 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.13 -38.19 87.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.887 -1.133 . . . . 0.0 110.168 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.84 67.99 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 32.0 t80 -56.55 -38.34 71.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.844 -1.16 . . . . 0.0 108.886 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.08 -40.37 97.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 110.794 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -39.88 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.009 . . . . 0.0 109.543 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.16 -41.45 63.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.305 -0.872 . . . . 0.0 109.866 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -81.24 82.66 7.06 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.021 -1.049 . . . . 0.0 109.883 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.41 -44.62 90.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.646 -0.659 . . . . 0.0 111.344 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 52.9 p-10 -68.78 -27.12 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.011 -1.056 . . . . 0.0 110.792 -178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.31 16.48 79.82 Favored Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.578 -1.296 . . . . 0.0 110.072 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.8 p-10 -68.79 -7.26 32.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.351 . . . . 0.0 108.585 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.23 80.07 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.527 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.2 m-85 -134.02 142.3 47.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -96.8 127.87 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.56 -1.338 . . . . 0.0 109.151 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.4 p -105.68 165.21 11.33 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.816 0.817 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.88 86.1 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.868 -0.52 . . . . 0.0 111.379 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.12 83.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.452 -1.405 . . . . 0.0 108.624 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.6 -40.49 94.99 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.238 -0.914 . . . . 0.0 109.961 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -40.68 85.81 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.211 -0.93 . . . . 0.0 111.008 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.444 ' O ' ' OG1' ' A' ' 110' ' ' THR . 79.5 mtp180 -63.8 -37.96 89.33 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.394 -1.441 . . . . 0.0 109.983 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.75 -60.05 3.54 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.448 -0.783 . . . . 0.0 112.389 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.74 -40.65 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.079 -1.013 . . . . 0.0 109.769 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mtp -62.75 -38.01 88.85 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.2 m -64.39 -40.74 96.39 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.224 -0.923 . . . . 0.0 110.799 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.14 -23.12 67.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.111 -0.993 . . . . 0.0 111.349 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.04 7.87 38.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.907 -1.121 . . . . 0.0 109.832 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 11.05 83.66 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.55 127.07 47.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.588 -0.948 . . . . 0.0 108.889 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -135.78 116.81 14.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.557 -0.714 . . . . 0.0 109.465 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 -177.49 3.14 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -101.35 162.74 12.68 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.29 -0.881 . . . . 0.0 109.08 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.38 -40.68 82.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 110.047 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.51 -41.55 94.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.051 -1.031 . . . . 0.0 109.157 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.12 -43.44 98.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 109.67 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.77 -32.86 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.94 -40.66 85.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 108.851 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.5 -37.84 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.136 -0.978 . . . . 0.0 109.857 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.03 -42.97 91.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.118 -0.989 . . . . 0.0 109.884 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.36 -46.2 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.117 -0.99 . . . . 0.0 110.099 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.91 -41.53 99.47 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.625 -1.297 . . . . 0.0 111.172 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.41 -39.19 85.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.88 -1.137 . . . . 0.0 111.211 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.52 -7.23 55.37 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.918 -1.114 . . . . 0.0 111.427 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.9 90.67 4.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.698 -1.252 . . . . 0.0 109.795 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.26 -44.45 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.548 -0.72 . . . . 0.0 111.312 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.7 p30 -77.32 -24.28 50.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.564 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.62 21.72 57.47 Favored Glycine 0 N--CA 1.482 1.704 0 C-N-CA 119.608 -1.282 . . . . 0.0 109.939 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.8 p30 -77.87 -11.78 59.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.354 -1.086 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.51 -10.52 73.12 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.4 162.99 28.88 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -1.095 . . . . 0.0 108.529 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.93 123.15 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.24 -174.67 2.58 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.995 0.902 . . . . 0.0 110.619 -177.624 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.8 m-85 -62.06 -40.09 94.61 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.9 -50.84 71.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.378 -0.826 . . . . 0.0 109.805 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.39 -41.62 84.69 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.213 -0.929 . . . . 0.0 109.245 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.95 -47.42 83.26 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.588 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.55 -43.19 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.029 -1.669 . . . . 0.0 108.654 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -64.98 -38.34 90.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.564 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.2 ttt -61.23 -38.75 87.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 85.0 mmm -86.47 -8.88 57.23 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.144 -0.973 . . . . 0.0 112.456 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.36 55.71 1.51 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 120.575 -1.328 . . . . 0.0 109.076 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.86 139.15 41.74 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.405 -0.809 . . . . 0.0 109.466 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.008 -0.996 . . . . 0.0 108.855 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.789 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.569 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -64.19 136.27 57.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.227 -0.921 . . . . 0.0 108.628 . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 25.4 p-10 -42.54 -55.2 3.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.397 -0.815 . . . . 0.0 110.263 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 2.4 p -73.51 -31.42 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.721 -1.237 . . . . 0.0 110.616 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -57.2 -49.83 74.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.721 -1.237 . . . . 0.0 110.2 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 63.9 mtp -71.96 -39.45 69.35 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.532 -1.355 . . . . 0.0 109.472 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -63.32 -42.03 98.96 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.25 -0.906 . . . . 0.0 110.213 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.63 96.73 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -48.63 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.252 . . . . 0.0 109.137 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 90.3 p -62.54 -26.23 68.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.551 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -45.39 94.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -0.909 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -86.72 -13.14 46.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 110.03 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.62 -45.47 93.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.043 -1.035 . . . . 0.0 109.596 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -70.31 -43.64 69.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 109.573 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -64.5 -41.15 98.08 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 119.788 -1.196 . . . . 0.0 110.275 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.34 9.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.913 -1.345 . . . . 0.0 110.251 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.425 ' H ' ' C ' ' B' ' 214' ' ' GLY . 43.9 t -61.75 -38.08 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.209 -0.932 . . . . 0.0 110.319 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.47 80.6 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.998 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' B' ' 219' ' ' ALA . . . -60.72 -40.38 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.517 -1.365 . . . . 0.0 109.417 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' B' ' 218' ' ' ALA . . . 72.44 16.41 4.96 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.321 -0.862 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -72.83 -12.2 60.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 109.533 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -134.87 146.34 49.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.564 -0.71 . . . . 0.0 109.261 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.89 143.26 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 108.879 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 8' ' ' GLN . 50.3 p -109.19 156.96 19.25 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.558 0.694 . . . . 0.0 110.565 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -39.76 94.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.557 -0.714 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.979 -1.076 . . . . 0.0 110.375 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 64.3 mt-30 -61.39 -40.03 92.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.023 . . . . 0.0 110.173 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.23 -39.63 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.464 -1.398 . . . . 0.0 109.654 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.35 76.37 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.901 -1.125 . . . . 0.0 109.792 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.772 -1.205 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.74 -19.37 29.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.869 -1.145 . . . . 0.0 109.775 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.4 -43.16 98.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 109.072 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.98 -46.28 89.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.194 -0.942 . . . . 0.0 108.985 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.76 81.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.218 -0.926 . . . . 0.0 109.493 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.04 -46.01 82.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.304 -0.872 . . . . 0.0 111.139 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -62.64 -21.99 66.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.871 -1.143 . . . . 0.0 111.779 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.9 88.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.402 -1.436 . . . . 0.0 110.094 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -69.38 -37.86 77.75 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.078 -1.014 . . . . 0.0 109.575 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -83.74 81.37 8.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.63 -1.294 . . . . 0.0 109.783 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.54 -22.56 66.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.17 -0.956 . . . . 0.0 110.007 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.09 -30.22 71.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 3.79 88.51 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.37 -1.457 . . . . 0.0 110.389 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -87.62 2.13 51.76 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.275 -1.132 . . . . 0.0 110.141 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.24 86.8 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.531 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.9 p -136.02 150.14 49.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.251 -1.146 . . . . 0.0 108.87 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.02 131.0 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.742 0.782 . . . . 0.0 108.998 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.6 p -109.01 159.49 16.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -55.98 -35.8 67.15 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.242 -0.911 . . . . 0.0 110.224 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.7 tttm -64.6 -41.57 96.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.239 -0.913 . . . . 0.0 109.795 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -42.92 88.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.502 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -52.56 18.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.996 -1.065 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.34 -39.63 96.4 Favored Glycine 0 N--CA 1.487 2.088 0 C-N-CA 119.539 -1.315 . . . . 0.0 109.864 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 87.5 m -60.61 -46.24 91.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.933 -1.334 . . . . 0.0 109.551 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.26 -37.67 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 120.753 -1.217 . . . . 0.0 109.154 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' B' ' 200' ' ' ACE . 9.5 ttt -62.32 -35.04 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.762 -1.212 . . . . 0.0 108.87 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -57.1 -34.94 68.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.504 -0.748 . . . . 0.0 109.474 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -57.76 -36.06 71.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 18.15 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.111 -0.993 . . . . 0.0 109.073 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.13 38.57 96.15 Favored Glycine 0 N--CA 1.484 1.846 0 C-N-CA 120.214 -0.994 . . . . 0.0 110.65 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.27 159.89 21.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.517 -0.99 . . . . 0.0 109.395 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -141.63 73.02 24.62 Favored Pre-proline 0 C--N 1.299 -1.629 0 O-C-N 121.651 -0.656 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.08 161.44 32.61 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.645 2.23 . . . . 0.0 112.072 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -104.25 163.67 12.26 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.755 0.788 . . . . 0.0 110.036 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -42.56 98.26 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.425 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.61 94.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.989 -1.069 . . . . 0.0 110.16 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.05 -43.52 92.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.852 -1.155 . . . . 0.0 109.987 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.47 -28.92 65.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.222 -0.924 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -59.14 -46.38 88.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 109.174 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.55 -41.18 94.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 38.0 ttp -60.22 -51.51 69.28 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.829 -1.17 . . . . 0.0 110.085 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -36.27 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.33 -36.37 73.3 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -61.1 -19.62 61.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.852 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.81 28.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.928 -1.108 . . . . 0.0 111.34 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.2 t0 -90.73 100.47 13.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.782 -1.199 . . . . 0.0 108.705 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 -22.55 18.45 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.068 -1.02 . . . . 0.0 110.34 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.2 p30 -91.9 -11.17 37.07 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.993 -1.067 . . . . 0.0 109.144 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.48 24.89 69.7 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.8 p30 -95.29 1.19 54.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.441 -1.035 . . . . 0.0 110.217 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.43 76.25 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.05 -1.031 . . . . 0.0 110.614 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -142.16 162.2 36.07 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -1.218 . . . . 0.0 108.088 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.69 121.2 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.376 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 63.8 m-20 -91.32 155.7 18.32 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.75 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -45.67 -52.9 22.02 Favored Pre-proline 0 C--N 1.3 -1.579 0 O-C-N 121.437 -0.789 . . . . 0.0 112.048 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.56 -33.26 96.97 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.898 1.356 . . . . 0.0 111.419 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.59 -43.36 94.09 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -61.66 -45.17 95.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.65 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.26 -40.5 82.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.476 -0.765 . . . . 0.0 109.977 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 109.495 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.3 -41.71 93.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.872 -1.142 . . . . 0.0 110.303 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.71 -24.33 49.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.933 -1.104 . . . . 0.0 108.946 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' A' ' 80' ' ' ASP . 55.8 ttp180 -53.48 -21.76 6.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.317 -0.865 . . . . 0.0 109.278 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 27.7 ttpp -58.31 -42.49 86.79 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.35 -41.58 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.049 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -73.73 -20.12 60.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 109.233 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 68.1 m-20 54.39 35.39 22.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.556 -0.715 . . . . 0.0 110.603 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.8 m -70.12 -41.57 73.78 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.852 -1.155 . . . . 0.0 109.267 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' A' ' 74' ' ' ARG . 97.0 m-20 -109.2 -15.07 14.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 109.271 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -49.04 -36.55 18.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.29 -38.71 90.41 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.884 -1.135 . . . . 0.0 109.011 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.81 -46.08 90.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.475 -0.766 . . . . 0.0 111.68 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.72 -25.22 65.55 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.558 -1.339 . . . . 0.0 111.564 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mt -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.135 -0.978 . . . . 0.0 108.946 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -68.51 -39.65 81.16 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.542 -1.349 . . . . 0.0 110.951 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.06 -37.53 78.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.779 -1.2 . . . . 0.0 110.184 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' CB ' ' HZ2' ' B' ' 210' ' ' LYS . . . -55.29 -33.12 62.97 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.155 -0.966 . . . . 0.0 109.578 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.2 t80 -57.58 -39.17 76.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.029 -1.044 . . . . 0.0 108.411 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -63.36 -40.6 97.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 110.457 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.39 -41.93 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.278 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -71.45 -40.15 70.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.206 -0.934 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -82.09 85.71 6.71 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.96 -1.088 . . . . 0.0 110.302 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.72 -43.55 93.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.52 -0.738 . . . . 0.0 112.018 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.1 p-10 -69.13 -27.83 65.92 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.749 -1.219 . . . . 0.0 111.511 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.4 16.06 80.07 Favored Glycine 0 N--CA 1.488 2.155 0 C-N-CA 119.412 -1.375 . . . . 0.0 110.256 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.553 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 48.0 p-10 -74.58 -4.5 37.4 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.782 -1.422 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.31 -5.22 84.27 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.553 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.4 m-85 -132.68 136.96 46.76 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.59 130.92 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.336 -1.477 . . . . 0.0 109.732 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -102.01 165.37 11.21 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.333 -0.854 . . . . 0.0 109.986 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.16 94.05 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.386 -0.821 . . . . 0.0 112.872 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.54 84.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 119.951 -1.718 . . . . 0.0 109.551 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 78.4 mt-10 -62.71 -40.7 97.97 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.221 -0.924 . . . . 0.0 111.961 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.9 -37.21 85.5 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.952 -1.093 . . . . 0.0 111.235 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -67.29 -35.71 80.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.825 -1.172 . . . . 0.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -57.27 -58.29 8.87 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 121.324 -0.86 . . . . 0.0 113.024 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -39.28 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.63 -38.71 91.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 110.342 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.3 m -65.84 -40.56 91.86 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.233 -0.917 . . . . 0.0 110.643 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.0 -21.7 66.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.035 -1.04 . . . . 0.0 110.488 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.76 10.67 38.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.66 19.59 78.99 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.99 -1.1 . . . . 0.0 110.374 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -111.85 143.65 42.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.493 -1.004 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -157.81 132.61 8.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.871 . . . . 0.0 109.828 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.46 -171.86 2.12 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 72.3 p -100.82 162.22 13.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.159 -0.963 . . . . 0.0 109.139 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.53 -39.56 84.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 110.065 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.19 -41.79 97.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.066 -1.021 . . . . 0.0 109.048 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.414 ' H ' ' HG1' ' A' ' 117' ' ' THR . 74.6 mm-40 -63.71 -43.68 95.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.894 . . . . 0.0 109.931 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.08 -36.5 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.59 -43.63 97.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.084 -1.01 . . . . 0.0 109.994 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.21 -38.42 89.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.4 mtt -61.03 -40.87 95.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 109.726 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.33 -43.7 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.037 -1.039 . . . . 0.0 108.576 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.51 -45.37 94.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.094 -1.004 . . . . 0.0 111.044 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.06 -38.9 89.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.964 -1.085 . . . . 0.0 111.25 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 -1.12 57.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.985 -1.072 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.53 82.0 5.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.897 -1.127 . . . . 0.0 110.49 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -45.69 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p-10 -76.0 -25.69 55.99 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.926 -1.109 . . . . 0.0 108.959 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.32 20.65 60.06 Favored Glycine 0 N--CA 1.482 1.74 0 C-N-CA 119.342 -1.409 . . . . 0.0 109.733 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 53.9 p-10 -81.06 -5.25 57.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -1.196 . . . . 0.0 110.146 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.1 83.38 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.758 -1.211 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -137.42 157.95 45.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 108.46 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.43 124.26 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.042 -1.036 . . . . 0.0 109.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.635 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 178.79 4.38 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.639 0.733 . . . . 0.0 109.891 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.0 m-85 -58.41 -40.34 82.2 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.33 -51.76 68.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.439 -0.788 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 90.9 mt-10 -65.77 -39.8 91.38 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 120.84 -1.163 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.57 -49.11 77.99 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.689 -0.632 . . . . 0.0 110.356 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -72.19 -44.46 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 O-C-N 119.969 -1.707 . . . . 0.0 108.609 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -62.32 -40.21 95.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.332 -0.855 . . . . 0.0 110.213 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.6 ttt -60.95 -42.82 98.96 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 147' ' ' ALA . 4.9 mmt -67.27 -36.66 82.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.276 -0.89 . . . . 0.0 112.74 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -71.23 54.74 0.2 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.247 -1.533 . . . . 0.0 109.632 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -107.31 142.34 37.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 0.0 109.461 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.896 -179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.457 ' C ' ' SD ' ' A' ' 36' ' ' MET . . . . . . . . 0 C--O 1.214 -0.794 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 204' ' ' PHE . 11.1 tpt -66.31 132.36 48.19 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' B' ' 201' ' ' MET . 32.5 p-10 -39.17 -44.69 1.23 Allowed 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.159 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' B' ' 207' ' ' GLY . 13.5 p -75.9 -34.98 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.195 -0.941 . . . . 0.0 110.016 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' B' ' 201' ' ' MET . 75.1 t80 -58.14 -49.05 78.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.766 -1.209 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.4 mtp -64.47 -41.7 96.33 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.679 -1.263 . . . . 0.0 108.503 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.495 ' HZ1' ' HE ' ' A' ' 74' ' ' ARG . 50.8 tptt -67.39 -37.05 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.542 -0.724 . . . . 0.0 109.758 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -70.17 -2.25 39.15 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 3.4 mt -46.0 -52.4 11.84 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.188 -1.183 . . . . 0.0 109.531 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.0 m -68.21 -40.13 82.22 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.079 -1.013 . . . . 0.0 110.392 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.409 ' HZ2' ' CB ' ' A' ' 88' ' ' ALA . 39.8 ttmt -61.61 -38.61 88.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 110.223 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -57.83 -25.83 61.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.026 -1.046 . . . . 0.0 109.536 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -142.46 121.73 13.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.118 -0.989 . . . . 0.0 109.417 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.421 ' CG ' ' H ' ' B' ' 214' ' ' GLY . 1.7 pt-20 177.62 -103.77 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.421 ' H ' ' CG ' ' B' ' 213' ' ' GLU . . . -61.52 -39.74 97.74 Favored Glycine 0 N--CA 1.498 2.808 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.5 -17.39 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.132 -1.217 . . . . 0.0 110.01 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.522 ' C ' ' H ' ' B' ' 218' ' ' ALA . 54.4 t -61.16 -41.99 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.133 -0.979 . . . . 0.0 109.278 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.16 30.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 109.542 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.16 -39.87 87.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 109.389 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -168.29 -67.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.294 0.569 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -85.02 73.37 10.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.221 -0.924 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -101.03 0.44 38.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.567 -0.708 . . . . 0.0 109.411 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -81.8 141.52 33.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 109.128 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -108.53 156.67 19.23 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.567 0.699 . . . . 0.0 110.674 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.91 -39.56 90.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.951 -1.093 . . . . 0.0 110.147 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.31 -40.37 93.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.759 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.85 -38.84 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.701 -1.249 . . . . 0.0 109.76 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.98 71.16 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.832 -1.167 . . . . 0.0 110.003 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.88 -1.137 . . . . 0.0 110.07 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -86.94 -18.71 30.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.875 -1.141 . . . . 0.0 109.713 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -42.81 96.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.822 -1.174 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -43.27 97.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.948 -1.095 . . . . 0.0 108.948 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.38 80.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.242 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.76 -45.9 85.28 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.301 -0.875 . . . . 0.0 111.296 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.69 -21.82 66.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.906 -1.121 . . . . 0.0 111.636 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -41.15 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.59 -1.319 . . . . 0.0 110.107 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.03 -37.23 75.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.104 -0.998 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 53.4 t0 -82.81 82.2 8.22 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.696 -1.253 . . . . 0.0 109.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.68 -24.63 67.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.231 -0.918 . . . . 0.0 109.756 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.21 -30.0 71.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.0 110.455 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.1 5.88 87.3 Favored Glycine 0 N--CA 1.495 2.594 0 O-C-N 120.325 -1.484 . . . . 0.0 110.101 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -88.33 3.6 49.15 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.382 -1.069 . . . . 0.0 110.04 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.57 87.52 Favored Glycine 0 N--CA 1.489 2.174 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.246 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.19 151.33 49.61 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -1.129 . . . . 0.0 109.07 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.61 129.28 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 74.7 p -105.51 157.0 17.68 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.823 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.8 p -54.6 -35.34 63.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.352 -0.842 . . . . 0.0 110.192 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' O ' ' OG1' ' A' ' 34' ' ' THR . 64.7 tttp -66.46 -41.03 89.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.196 -0.94 . . . . 0.0 109.959 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 39.2 mt-10 -65.89 -41.8 91.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.0 111.594 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.56 5.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.988 -1.07 . . . . 0.0 110.451 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.76 -40.18 96.29 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.01 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 89.7 m -60.11 -46.61 89.05 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.064 -1.257 . . . . 0.0 109.546 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.98 -40.03 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.772 -1.205 . . . . 0.0 109.61 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 50.6 ttp -64.56 -34.85 79.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.758 -1.214 . . . . 0.0 108.884 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.64 -34.18 69.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -0.798 . . . . 0.0 109.525 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -56.64 -35.74 68.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.145 -0.972 . . . . 0.0 109.558 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' CB ' ' NE2' ' A' ' 41' ' ' GLN . 0.4 OUTLIER -69.03 22.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.017 -1.052 . . . . 0.0 108.861 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.608 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.09 42.77 91.7 Favored Glycine 0 N--CA 1.485 1.931 0 O-C-N 121.085 -1.009 . . . . 0.0 110.773 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 36' ' ' MET . 33.5 mt-30 -115.72 154.03 30.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.998 . . . . 0.0 109.649 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -141.76 69.41 24.79 Favored Pre-proline 0 C--N 1.295 -1.784 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.04 161.78 35.28 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.762 2.308 . . . . 0.0 112.607 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.6 p -104.21 166.56 10.33 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.706 0.765 . . . . 0.0 109.814 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.22 -45.0 92.27 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.721 -0.612 . . . . 0.0 110.262 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.33 -39.47 93.17 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.03 -1.044 . . . . 0.0 110.186 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.5 -46.04 87.93 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.812 -1.18 . . . . 0.0 109.939 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.94 -37.53 84.48 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.4 -0.812 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -59.29 -46.48 88.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.913 -1.117 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.96 -44.44 94.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.136 -0.977 . . . . 0.0 110.393 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mtp -58.78 -57.14 14.32 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.92 -1.112 . . . . 0.0 110.658 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.95 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 110.295 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -58.08 -36.78 73.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.373 -0.829 . . . . 0.0 110.639 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.99 -18.78 59.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 111.763 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 p -132.35 26.19 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.049 -1.032 . . . . 0.0 111.46 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -89.77 100.26 13.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.71 -1.244 . . . . 0.0 108.609 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.15 -22.88 18.18 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.067 -1.021 . . . . 0.0 110.463 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 22.9 p30 -90.84 -10.67 41.87 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.989 -1.069 . . . . 0.0 109.15 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.69 24.57 69.78 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.527 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.9 p30 -95.9 1.04 52.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.329 -1.1 . . . . 0.0 110.115 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.04 20.26 76.18 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.032 -1.042 . . . . 0.0 110.511 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.421 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.6 160.93 39.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.13 -1.218 . . . . 0.0 108.082 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.9 mt -100.4 121.41 51.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.4 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.5 m-20 -91.22 155.18 18.77 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.905 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -45.03 -52.72 18.57 Favored Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 111.958 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.27 -34.43 98.03 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 CA-C-N 120.843 1.337 . . . . 0.0 111.415 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.25 -43.63 94.29 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.72 -45.3 94.55 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 0.0 110.608 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.66 -39.45 77.1 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.802 0.811 . . . . 0.0 109.779 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.79 -42.68 94.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.832 -0.543 . . . . 0.0 109.764 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.26 -41.26 97.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.97 . . . . 0.0 109.377 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.92 -42.35 93.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.044 -1.035 . . . . 0.0 110.378 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.88 -24.12 48.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.773 -1.204 . . . . 0.0 109.008 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -54.94 -21.65 12.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.846 . . . . 0.0 109.796 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HZ1' ' HZ3' ' B' ' 210' ' ' LYS . 64.7 tttp -58.31 -42.45 86.72 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.4 OUTLIER -61.73 -39.77 92.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 109.267 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.93 -39.31 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.117 -0.989 . . . . 0.0 109.58 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 15.6 t0 67.39 55.78 0.64 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.849 -0.532 . . . . 0.0 109.721 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -77.2 0.56 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 81' ' ' SER . 58.4 p30 -81.47 -14.12 57.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.869 -1.144 . . . . 0.0 108.613 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 95.9 p -48.35 -29.25 3.76 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.74 -41.14 99.05 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.068 -1.02 . . . . 0.0 108.286 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 80' ' ' ASP . 88.3 tt0 -63.91 -46.11 86.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.51 -0.744 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 20.1 mp0 -68.77 -36.87 78.86 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.096 -1.002 . . . . 0.0 110.401 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.97 -42.78 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.131 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.95 -37.34 85.76 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 120.838 -1.164 . . . . 0.0 109.777 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.44 -38.93 93.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.963 -1.086 . . . . 0.0 109.626 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -28.16 38.09 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.12 -0.987 . . . . 0.0 109.09 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -56.28 -39.22 72.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.49 -36.77 83.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.537 -0.727 . . . . 0.0 109.853 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.7 -39.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.765 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.12 -40.21 71.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.197 -0.94 . . . . 0.0 109.787 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -82.57 82.21 8.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.018 -1.051 . . . . 0.0 110.095 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.92 -42.5 97.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.369 -0.832 . . . . 0.0 111.346 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.7 p-10 -68.51 -26.62 65.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.92 -1.112 . . . . 0.0 110.905 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.81 16.37 80.82 Favored Glycine 0 N--CA 1.488 2.103 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.07 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -70.46 -5.37 28.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.896 -1.355 . . . . 0.0 108.795 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.48 2.18 82.73 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -137.92 144.68 41.4 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.26 129.07 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.631 -1.293 . . . . 0.0 109.596 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.0 p -106.29 166.01 10.84 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.02 0.914 . . . . 0.0 110.633 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.95 93.12 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.881 -0.512 . . . . 0.0 111.88 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.77 88.56 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 108.748 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.18 -41.14 96.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.158 -0.964 . . . . 0.0 109.689 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -41.16 90.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.748 . . . . 0.0 110.476 -179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' OG1' ' A' ' 110' ' ' THR . 60.8 ttp180 -61.29 -39.41 90.32 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 109.937 -179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.28 -61.89 1.96 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.86 -40.79 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.19 -0.944 . . . . 0.0 109.529 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 98.5 mtp -63.18 -38.17 90.13 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.926 -1.109 . . . . 0.0 109.951 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 96.2 m -65.39 -40.35 93.33 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.256 -0.903 . . . . 0.0 110.991 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -64.58 -22.19 66.9 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.191 -0.943 . . . . 0.0 111.638 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.07 8.02 34.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.808 -1.183 . . . . 0.0 110.218 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.97 84.72 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -105.44 137.51 43.14 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.555 -0.967 . . . . 0.0 109.101 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -141.94 120.27 12.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.411 -0.806 . . . . 0.0 109.982 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.86 -177.78 3.22 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.4 p -101.28 162.32 12.98 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.251 -0.905 . . . . 0.0 109.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -38.83 79.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.12 -0.988 . . . . 0.0 109.922 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.1 -39.9 94.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.1 -1.0 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.23 -44.43 91.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.0 109.808 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.46 -37.33 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.66 -44.12 96.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.07 -1.019 . . . . 0.0 109.171 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.86 -38.24 90.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttt -58.54 -40.65 83.57 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 120.931 -1.106 . . . . 0.0 108.789 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.36 -44.68 97.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.397 -0.814 . . . . 0.0 109.361 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -61.26 -45.63 93.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.037 -1.04 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.33 -38.56 87.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.04 -1.038 . . . . 0.0 111.07 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.34 5.95 35.97 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.089 -1.007 . . . . 0.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -83.35 77.88 9.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.892 -1.13 . . . . 0.0 110.72 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -46.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.938 -1.101 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.2 p-10 -76.15 -25.9 55.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.005 -1.059 . . . . 0.0 109.222 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.53 19.71 61.5 Favored Glycine 0 N--CA 1.482 1.722 0 C-N-CA 119.232 -1.461 . . . . 0.0 109.913 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.0 p-10 -81.08 -8.52 59.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.11 -1.229 . . . . 0.0 110.515 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.46 -4.43 84.16 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.336 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.02 163.68 27.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.198 -1.178 . . . . 0.0 108.536 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -98.2 123.94 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.006 . . . . 0.0 108.412 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.33 -177.39 3.31 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.862 0.839 . . . . 0.0 110.613 -178.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.7 m-85 -59.09 -41.33 87.81 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.374 0.607 . . . . 0.0 109.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.22 -49.41 77.71 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.365 -0.834 . . . . 0.0 109.497 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' MET . 85.3 mt-10 -70.44 -41.0 73.44 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.449 -0.782 . . . . 0.0 109.704 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.75 -46.67 88.59 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.792 -0.568 . . . . 0.0 111.162 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.42 -45.27 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.058 -1.651 . . . . 0.0 107.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -73.8 -20.47 60.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.092 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.1 tmt? -58.39 -43.73 88.66 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.802 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -74.22 -7.74 53.74 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.884 -1.135 . . . . 0.0 113.268 -178.193 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.21 42.65 0.15 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 119.762 -1.836 . . . . 0.0 108.709 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 145' ' ' MET . . . -106.21 138.04 43.1 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.109 -179.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.802 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.44 -3.94 56.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.226 -0.921 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 37.2 p-10 -59.6 -37.8 79.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.784 -1.198 . . . . 0.0 108.877 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.527 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 1.7 p -59.19 -6.54 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.576 -0.703 . . . . 0.0 110.112 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.77 -47.3 67.59 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.272 -1.518 . . . . 0.0 110.373 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.36 -45.34 93.6 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.54 -1.35 . . . . 0.0 110.572 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -70.42 -39.38 74.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.954 -1.091 . . . . 0.0 110.32 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' B' ' 208' ' ' LEU . . . -70.43 -0.6 31.43 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.6 OUTLIER -36.67 -53.8 0.9 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.807 -0.819 . . . . 0.0 109.904 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 74.3 m -69.53 -39.11 77.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.036 -1.04 . . . . 0.0 110.017 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.563 ' HZ3' ' HZ1' ' A' ' 75' ' ' LYS . 69.1 mttm -63.37 -19.87 65.03 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.46 -0.775 . . . . 0.0 110.388 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.16 77.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.884 -1.135 . . . . 0.0 109.193 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -122.28 -44.11 2.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 109.521 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.36 -39.46 89.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.188 -0.945 . . . . 0.0 110.118 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -60.21 -40.05 96.79 Favored Glycine 0 N--CA 1.499 2.882 0 C-N-CA 119.87 -1.157 . . . . 0.0 110.649 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -7.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 120.673 -1.486 . . . . 0.0 109.587 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.553 ' C ' ' H ' ' B' ' 218' ' ' ALA . 51.1 t -61.28 -40.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.29 21.29 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 109.965 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.553 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.57 -40.06 90.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.041 . . . . 0.0 109.155 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -162.05 -93.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.411 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -88.26 -2.77 58.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.371 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.7 -42.01 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.172 -0.955 . . . . 0.0 109.353 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.2 tp -67.81 145.14 54.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 108.819 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.7 p -108.72 156.91 19.05 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.557 0.694 . . . . 0.0 110.548 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.99 -39.71 94.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.529 -0.732 . . . . 0.0 110.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mp0 -61.5 -38.67 88.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -61.25 -41.2 96.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.012 -1.055 . . . . 0.0 110.256 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.48 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.73 -1.232 . . . . 0.0 109.705 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.63 75.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.872 -1.142 . . . . 0.0 109.862 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.33 -43.11 99.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 0.0 110.395 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -87.18 -18.84 29.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.2 -43.08 96.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.854 -1.154 . . . . 0.0 109.15 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.47 -45.91 92.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.964 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.55 80.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 109.374 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -56.99 -45.39 83.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 0.0 111.139 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -63.23 -21.76 66.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.112 . . . . 0.0 111.858 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -42.08 87.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.404 -1.435 . . . . 0.0 110.032 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -69.8 -37.34 76.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.044 -1.035 . . . . 0.0 109.408 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 54.3 t0 -83.16 81.22 8.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.731 -1.231 . . . . 0.0 109.59 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.23 -22.95 66.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.22 -0.925 . . . . 0.0 109.851 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.02 -29.55 70.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.157 -0.964 . . . . 0.0 110.248 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.03 4.72 88.92 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 120.384 -1.447 . . . . 0.0 110.174 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.3 p30 -87.11 2.15 50.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.428 -1.042 . . . . 0.0 110.009 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.27 9.26 86.77 Favored Glycine 0 N--CA 1.49 2.249 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.442 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 73.4 p -136.38 150.48 48.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.195 -1.179 . . . . 0.0 109.116 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.34 129.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.425 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 66.7 p -107.91 157.27 18.34 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.238 0.542 . . . . 0.0 109.624 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -55.17 -34.59 63.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 34' ' ' THR . 65.0 tttp -65.82 -41.32 91.97 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.92 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 41.9 mt-10 -65.88 -42.53 90.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.453 -0.779 . . . . 0.0 111.722 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -55.32 8.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.013 -1.054 . . . . 0.0 110.417 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.16 96.1 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.319 -1.42 . . . . 0.0 109.871 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 91.9 m -59.73 -46.35 89.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.91 -1.347 . . . . 0.0 109.409 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.74 -39.92 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.643 -1.286 . . . . 0.0 109.738 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.2 ttp -64.94 -34.78 79.22 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.635 -1.291 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -57.48 -34.48 69.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.314 -0.866 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.649 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -54.29 -33.42 58.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 109.072 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 22.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.165 -0.959 . . . . 0.0 108.763 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.649 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 61.17 47.2 92.31 Favored Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.664 HE22 ' CE ' ' B' ' 201' ' ' MET . 95.0 mt-30 -124.29 163.7 21.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.59 -0.947 . . . . 0.0 110.604 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 13.0 p30 -143.29 76.39 16.36 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.43 162.52 39.96 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.633 2.222 . . . . 0.0 112.923 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -105.67 168.39 9.14 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.803 0.811 . . . . 0.0 110.371 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -59.94 -42.91 95.02 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.804 -0.56 . . . . 0.0 110.208 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 110.12 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.13 -46.9 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.777 -1.202 . . . . 0.0 110.153 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.62 -40.41 92.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.135 -0.978 . . . . 0.0 109.685 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -63.11 -46.84 85.42 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.929 -1.107 . . . . 0.0 108.55 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.467 -0.77 . . . . 0.0 110.817 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 8.0 mtm -62.71 -51.89 65.4 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.012 -1.055 . . . . 0.0 110.628 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -37.77 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.951 -1.093 . . . . 0.0 110.663 -178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -56.68 -33.88 66.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.412 -0.805 . . . . 0.0 110.055 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.72 -19.22 48.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 111.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.65 25.32 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 O-C-N 121.076 -1.015 . . . . 0.0 111.635 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 68.3 t0 -90.29 103.45 16.13 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.609 -1.307 . . . . 0.0 108.712 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.32 -24.2 17.5 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.108 -0.995 . . . . 0.0 110.636 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.7 p30 -88.81 -9.54 51.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.88 -1.138 . . . . 0.0 109.02 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.35 24.17 68.91 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.64 1.03 55.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.413 -1.051 . . . . 0.0 109.796 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.11 18.75 76.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -141.9 161.2 38.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.17 -1.194 . . . . 0.0 107.895 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.1 mt -100.92 121.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 49.3 m-20 -89.45 153.78 20.56 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.051 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -48.06 -46.35 64.98 Favored Pre-proline 0 C--N 1.3 -1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 111.716 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.64 -37.21 81.22 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 CA-C-N 121.176 1.456 . . . . 0.0 110.903 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.95 -43.83 98.03 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.1 -43.85 98.25 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.569 0.699 . . . . 0.0 109.958 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.03 -40.74 85.95 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.819 0.818 . . . . 0.0 109.927 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -62.0 -45.08 95.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.743 -0.598 . . . . 0.0 109.438 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.39 -40.91 96.08 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.205 -0.935 . . . . 0.0 109.587 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.4 mmm -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.071 -1.018 . . . . 0.0 110.726 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.58 49.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.962 -1.086 . . . . 0.0 108.742 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.52 -26.63 61.65 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.591 -0.693 . . . . 0.0 109.511 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.613 ' HZ3' ' H ' ' B' ' 209' ' ' SER . 98.2 mttt -59.29 -41.69 89.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -38.71 90.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 109.206 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -70.71 -16.11 62.76 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.005 -1.059 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 50.1 t0 56.62 53.16 8.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.301 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -67.97 0.82 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.199 -0.938 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.8 -17.07 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.886 -1.134 . . . . 0.0 108.818 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.444 ' OG ' ' OD1' ' A' ' 78' ' ' ASP . 89.8 p -49.23 -30.05 6.55 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -63.98 -36.84 85.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.989 -1.069 . . . . 0.0 109.337 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.95 -42.53 94.24 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.998 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.75 -24.68 62.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.779 -1.201 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.33 -47.48 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.07 -1.019 . . . . 0.0 108.981 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.49 -38.44 87.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.576 -1.327 . . . . 0.0 110.327 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.84 -36.88 84.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.006 -1.059 . . . . 0.0 109.832 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.31 63.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.201 -0.937 . . . . 0.0 109.845 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 28.5 t80 -57.74 -39.58 77.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.081 -1.012 . . . . 0.0 108.905 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -64.3 -40.24 95.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.391 -0.818 . . . . 0.0 110.578 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.57 -39.6 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 109.794 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.24 -41.97 66.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.422 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.65 86.39 6.99 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.867 -1.145 . . . . 0.0 110.25 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -77.12 -22.12 53.14 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.077 -1.015 . . . . 0.0 111.035 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 98.0 m-20 -68.52 -29.42 68.01 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.857 -1.152 . . . . 0.0 110.61 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.44 88.12 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.6 p-10 -68.83 -8.32 42.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 109.512 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.71 2.53 86.7 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.4 m-85 -135.81 144.96 46.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.8 mt -96.44 128.23 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 109.796 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -106.05 164.88 11.63 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.206 -0.934 . . . . 0.0 110.425 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.48 90.29 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.873 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.1 84.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.27 -1.518 . . . . 0.0 108.472 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.7 mt-10 -60.85 -41.28 95.55 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.108 -0.995 . . . . 0.0 109.754 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -42.11 86.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 110.881 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' OG1' ' A' ' 110' ' ' THR . 59.0 ttp180 -61.1 -38.63 86.99 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.636 -1.29 . . . . 0.0 110.07 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -64.65 -62.39 1.61 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.325 -0.859 . . . . 0.0 112.996 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.34 -40.25 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.027 -1.046 . . . . 0.0 109.491 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.9 mtp -62.75 -38.58 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 110.046 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.7 m -65.58 -40.29 92.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -0.929 . . . . 0.0 110.863 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.9 -22.52 66.96 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.069 -1.019 . . . . 0.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.3 mt -91.86 7.04 43.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.739 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.49 12.75 82.64 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -102.17 127.95 48.89 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.944 . . . . 0.0 109.168 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -137.8 118.88 14.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.518 -0.739 . . . . 0.0 109.418 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -113.18 -175.63 2.71 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -101.3 159.36 15.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.1 p-10 -57.36 -36.43 71.2 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.239 -0.913 . . . . 0.0 110.085 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.529 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -63.7 -39.84 95.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.25 -44.99 90.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.227 -0.92 . . . . 0.0 109.809 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.79 -37.85 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.06 -44.79 96.86 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.209 -0.932 . . . . 0.0 109.594 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -37.64 88.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.941 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 ttt -57.69 -40.14 78.76 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 120.942 -1.099 . . . . 0.0 108.478 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.31 -41.52 89.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.61 -42.8 98.18 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.387 -0.821 . . . . 0.0 111.315 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.42 -40.01 77.52 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.918 -1.114 . . . . 0.0 111.161 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.07 27.26 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.382 -0.824 . . . . 0.0 111.038 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.21 76.44 8.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.936 -1.103 . . . . 0.0 110.442 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.39 -47.3 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.977 -1.077 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.1 p-10 -75.94 -26.0 56.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.841 -1.162 . . . . 0.0 108.947 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.66 20.0 62.62 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.806 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 54.6 p-10 -80.22 -8.37 59.41 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.153 -1.204 . . . . 0.0 110.231 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.38 -4.61 85.39 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.363 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.1 mp0 -130.72 164.43 25.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -1.188 . . . . 0.0 108.71 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.5 124.03 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.28 -176.82 3.16 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.941 0.877 . . . . 0.0 110.607 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.594 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 9.5 m-85 -59.52 -41.3 89.63 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.59 -49.83 75.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.329 -0.857 . . . . 0.0 109.558 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' MET . 93.5 mt-10 -69.02 -41.89 77.13 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.283 -0.885 . . . . 0.0 109.736 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.98 -47.93 84.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.636 -0.665 . . . . 0.0 111.176 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.245 -1.534 . . . . 0.0 107.936 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -74.52 -21.92 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 111.124 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.5 tmt? -58.21 -44.34 88.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.165 -0.959 . . . . 0.0 110.957 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -72.82 -7.05 48.92 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.043 -1.035 . . . . 0.0 113.464 -178.21 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.53 42.15 0.12 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 119.658 -1.901 . . . . 0.0 108.852 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 145' ' ' MET . . . -106.32 142.35 36.13 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.035 -1.04 . . . . 0.0 109.034 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.724 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.664 ' CE ' HE22 ' A' ' 41' ' ' GLN . 93.1 mmm -98.8 19.61 14.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 109.795 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.465 ' N ' ' SD ' ' A' ' 51' ' ' MET . 63.2 t0 -53.11 -30.05 34.31 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' B' ' 207' ' ' GLY . 3.0 p -66.84 -26.2 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.449 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -57.77 -48.59 79.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.304 -1.497 . . . . 0.0 109.371 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.2 mtp -65.91 -41.83 90.96 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 120.957 -1.09 . . . . 0.0 109.338 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.71 -25.57 59.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.074 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -75.07 -5.38 75.78 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 4.1 mt -49.93 -48.85 51.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -1.163 . . . . 0.0 109.824 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' SER . . . . . 0.613 ' H ' ' HZ3' ' A' ' 75' ' ' LYS . 80.2 p -73.03 -23.07 60.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.058 -1.026 . . . . 0.0 110.917 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -93.67 0.53 56.51 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.96 -1.087 . . . . 0.0 110.53 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.25 85.55 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.035 -1.041 . . . . 0.0 109.884 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -129.04 -44.92 1.27 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.24 -0.912 . . . . 0.0 109.811 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.464 ' O ' ' CG2' ' B' ' 216' ' ' VAL . 99.2 mt-10 -70.1 -23.76 63.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.773 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -59.31 -39.95 95.33 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.3 -0.5 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.777 -1.425 . . . . 0.0 109.532 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.504 ' H ' ' C ' ' B' ' 214' ' ' GLY . 42.5 t -60.93 -38.17 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.253 -0.905 . . . . 0.0 109.914 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -54.76 -20.3 8.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 110.153 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.11 89.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.858 -1.151 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . 66.77 144.13 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -86.46 2.31 48.27 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -166.31 156.51 12.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.862 . . . . 0.0 109.263 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp -82.39 143.21 31.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 108.821 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p -108.34 157.28 18.52 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.664 0.745 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.74 -38.2 90.23 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.716 -0.615 . . . . 0.0 109.656 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.05 -35.18 77.83 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.301 -0.875 . . . . 0.0 110.743 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -59.07 -38.88 80.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.836 -1.165 . . . . 0.0 109.833 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -60.33 -38.14 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.587 -1.32 . . . . 0.0 108.448 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.93 74.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.33 -42.76 96.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.887 -1.133 . . . . 0.0 109.832 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.07 -13.83 46.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.063 -1.023 . . . . 0.0 108.869 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.99 -44.38 92.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.861 -1.149 . . . . 0.0 109.527 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.07 -46.0 89.37 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.296 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.69 74.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.486 -0.759 . . . . 0.0 110.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -57.49 -47.4 82.0 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.037 -1.039 . . . . 0.0 111.451 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -59.69 -37.06 77.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.852 -1.155 . . . . 0.0 111.389 -177.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -39.77 71.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.77 -1.206 . . . . 0.0 110.382 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -67.49 -39.98 85.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.622 -1.298 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -83.5 85.9 7.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.669 -1.269 . . . . 0.0 109.557 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.66 -34.84 76.43 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -23.98 67.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.107 . . . . 0.0 110.004 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 18.22 75.9 Favored Glycine 0 N--CA 1.497 2.749 0 O-C-N 120.553 -1.342 . . . . 0.0 110.113 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -91.45 4.79 51.65 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.306 -1.114 . . . . 0.0 109.863 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 8.21 87.91 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -135.75 148.22 48.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.335 -1.097 . . . . 0.0 109.143 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.8 mt -101.46 130.98 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -108.16 157.52 18.23 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.303 0.573 . . . . 0.0 110.221 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 p -55.26 -36.35 65.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.329 -0.857 . . . . 0.0 110.233 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' O ' ' OG1' ' A' ' 34' ' ' THR . 40.1 ttmt -64.73 -41.85 95.63 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.036 -1.04 . . . . 0.0 109.729 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -41.08 91.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 111.638 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -57.66 4.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.888 -1.133 . . . . 0.0 110.768 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.21 98.1 Favored Glycine 0 N--CA 1.485 1.944 0 C-N-CA 119.361 -1.4 . . . . 0.0 110.28 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 85.1 m -60.46 -46.64 89.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.978 -1.307 . . . . 0.0 109.422 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.57 -39.33 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 120.741 -1.224 . . . . 0.0 109.543 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.99 -34.06 77.54 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.901 -1.124 . . . . 0.0 108.81 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -58.02 -34.53 70.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.39 -0.819 . . . . 0.0 109.391 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.2 t -55.81 -37.26 68.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 109.362 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.502 ' CB ' HE21 ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.95 21.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.173 -0.954 . . . . 0.0 108.925 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.51 39.96 94.15 Favored Glycine 0 N--CA 1.483 1.806 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.502 HE21 ' CB ' ' A' ' 39' ' ' LEU . 36.6 mt-30 -112.38 154.66 25.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.565 -0.962 . . . . 0.0 109.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.9 p30 -141.64 69.46 25.42 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.548 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.61 160.85 37.73 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.739 2.292 . . . . 0.0 112.716 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.1 p -102.97 167.73 9.65 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.714 0.768 . . . . 0.0 109.764 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -59.98 -43.6 95.01 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.005 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.56 94.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.16 -0.962 . . . . 0.0 110.067 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.83 -45.85 87.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.137 . . . . 0.0 109.916 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.14 -38.62 85.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.61 -46.05 91.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.898 -1.126 . . . . 0.0 109.624 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -61.27 -43.78 98.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 110.547 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.46 -58.94 6.31 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -37.44 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.301 -0.874 . . . . 0.0 110.517 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.82 -36.7 72.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.26 -0.9 . . . . 0.0 110.76 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.68 -21.35 64.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.928 -1.108 . . . . 0.0 111.649 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 p -125.62 21.51 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.099 -1.001 . . . . 0.0 111.19 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 68.0 t0 -88.45 100.67 13.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.805 -1.184 . . . . 0.0 108.807 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -24.25 17.43 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.254 -0.904 . . . . 0.0 110.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.515 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 28.5 p30 -91.62 -8.14 48.1 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.815 -1.178 . . . . 0.0 109.208 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.8 25.01 68.74 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.515 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.6 p30 -94.79 0.64 55.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.263 -1.139 . . . . 0.0 109.941 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.4 20.35 75.23 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -141.0 162.37 35.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -1.17 . . . . 0.0 108.135 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -102.33 123.49 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.835 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -98.87 160.8 14.01 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.262 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -52.12 16.0 Favored Pre-proline 0 C--N 1.301 -1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 111.548 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.61 -38.49 71.91 Favored 'Trans proline' 0 N--CA 1.488 1.201 0 CA-C-N 119.907 1.003 . . . . 0.0 111.147 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.39 -45.11 92.61 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.5 -47.67 80.76 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.502 0.668 . . . . 0.0 111.599 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.04 -38.02 81.54 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.973 0.892 . . . . 0.0 109.464 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -64.33 -42.74 96.14 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.6 ttp -64.64 -42.31 95.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.99 -1.069 . . . . 0.0 109.486 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.51 -40.92 93.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 110.401 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.57 50.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.177 . . . . 0.0 109.213 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.02 -20.11 22.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.39 -0.819 . . . . 0.0 110.287 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.6 -43.71 84.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.196 -0.94 . . . . 0.0 108.581 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.42 90.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.375 -0.828 . . . . 0.0 109.099 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -70.42 -24.63 62.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.001 -1.062 . . . . 0.0 109.482 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t0 58.05 55.36 5.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.286 -0.884 . . . . 0.0 110.106 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -69.77 0.74 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.139 -0.975 . . . . 0.0 109.784 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -87.03 -17.86 31.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.869 -1.144 . . . . 0.0 108.805 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -49.32 -33.74 14.0 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.13 -43.5 98.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.945 -1.097 . . . . 0.0 108.828 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.62 -39.85 91.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.42 -35.7 71.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.31 -42.74 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.61 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -67.42 -37.62 83.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.04 -39.31 93.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.969 -1.082 . . . . 0.0 109.885 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.99 -26.92 28.45 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.1 t80 -55.57 -39.81 71.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -64.99 -39.84 94.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.454 -0.779 . . . . 0.0 110.538 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -39.44 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -71.81 -40.24 69.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -83.59 82.24 8.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.967 -1.083 . . . . 0.0 110.524 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.42 -39.17 93.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.594 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.7 m-20 -67.42 -28.97 68.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.161 -0.962 . . . . 0.0 110.401 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 13.03 83.68 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 16.4 p-10 -68.83 -9.25 50.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.132 -1.217 . . . . 0.0 109.468 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.77 3.05 71.41 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.6 m-85 -139.48 144.04 37.79 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.63 129.47 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.013 -1.055 . . . . 0.0 109.486 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.3 p -106.04 165.7 11.03 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.97 0.89 . . . . 0.0 110.596 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.63 92.1 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.825 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.62 87.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.32 -1.488 . . . . 0.0 108.699 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 84.2 mt-10 -61.21 -40.94 95.86 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -40.02 92.86 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.434 -0.791 . . . . 0.0 110.426 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.462 ' O ' ' OG1' ' A' ' 110' ' ' THR . 60.6 ttp180 -62.07 -38.88 90.47 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.623 -1.298 . . . . 0.0 110.016 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -64.69 -61.19 2.34 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.277 -0.89 . . . . 0.0 112.484 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.49 -41.21 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.136 -0.978 . . . . 0.0 109.729 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 99.4 mtp -63.36 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.944 -1.097 . . . . 0.0 109.984 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 95.0 m -65.86 -40.29 91.54 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.175 -0.953 . . . . 0.0 111.011 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.42 -23.21 67.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.128 -0.982 . . . . 0.0 111.655 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.9 mt -87.35 8.86 22.57 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.676 -1.265 . . . . 0.0 110.1 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.33 11.1 84.63 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -105.32 138.81 40.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.626 -0.926 . . . . 0.0 109.091 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -143.58 120.4 11.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -0.797 . . . . 0.0 109.754 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.8 -177.1 3.05 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -100.79 162.14 13.11 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.302 -0.874 . . . . 0.0 109.034 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.45 -40.22 82.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.149 -0.969 . . . . 0.0 110.127 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.68 -39.8 92.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.13 -43.84 94.05 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -71.69 -37.61 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -60.47 -45.02 95.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.121 -0.987 . . . . 0.0 109.013 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.45 -36.68 84.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.87 -41.45 82.51 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.979 -1.076 . . . . 0.0 108.483 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.83 -41.51 92.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -59.8 -46.44 89.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 0.0 110.614 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.39 -39.03 85.59 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.097 -1.002 . . . . 0.0 111.644 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.22 -7.91 59.21 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.701 -1.249 . . . . 0.0 110.458 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.12 92.45 5.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.986 -1.071 . . . . 0.0 110.428 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.422 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -93.86 -45.13 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.285 -0.885 . . . . 0.0 111.722 -179.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p30 -94.32 -25.84 16.82 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.935 -1.103 . . . . 0.0 110.282 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.619 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 110.82 -113.25 3.42 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 107.559 -2.216 . . . . 0.0 107.559 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER 62.24 -20.06 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.056 -1.261 . . . . 0.0 110.283 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.619 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 81.17 3.86 90.59 Favored Glycine 0 N--CA 1.494 2.502 0 O-C-N 120.783 -1.198 . . . . 0.0 110.755 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.523 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 40.0 mt-30 -142.11 -178.56 5.77 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.062 -1.258 . . . . 0.0 109.317 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.07 126.58 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.82 176.61 5.08 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.987 0.898 . . . . 0.0 110.477 -178.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 5.7 m-85 -58.21 -38.81 77.52 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.19 -49.34 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.486 -0.759 . . . . 0.0 109.81 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 56.1 mt-10 -69.89 -39.81 76.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.357 -0.839 . . . . 0.0 109.207 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.66 -46.64 84.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.897 -0.502 . . . . 0.0 110.798 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' A' ' 146' ' ' THR . 96.5 t -70.7 -43.44 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 O-C-N 119.939 -1.726 . . . . 0.0 108.039 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.02 -40.35 97.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.486 -0.758 . . . . 0.0 110.262 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.0 ttt -61.39 -47.89 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 110.45 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 mtp -71.77 -39.32 70.04 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.191 -0.943 . . . . 0.0 111.818 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -71.76 57.3 0.3 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.674 -1.266 . . . . 0.0 109.376 -179.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.16 139.61 40.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.183 -0.948 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.302 -179.913 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.452 ' SD ' ' CG ' ' A' ' 41' ' ' GLN . 66.9 mtt -85.21 -4.97 59.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 109.864 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 38.1 p-10 -59.41 -37.36 77.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.857 -1.152 . . . . 0.0 109.319 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 3.4 p -61.04 -7.02 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.481 -0.762 . . . . 0.0 110.253 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.08 -47.83 71.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.393 -1.442 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.45 -45.92 88.65 Favored 'General case' 0 N--CA 1.512 2.66 0 O-C-N 120.575 -1.328 . . . . 0.0 110.828 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -71.06 -39.66 72.1 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.802 -1.186 . . . . 0.0 110.132 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -70.8 -0.23 32.1 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.5 OUTLIER -36.1 -52.29 0.77 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.838 -0.801 . . . . 0.0 109.642 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.6 m -68.48 -38.45 81.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 0.0 109.867 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 207' ' ' GLY . 60.5 mtpt -87.38 3.13 48.24 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.316 -0.865 . . . . 0.0 110.848 -178.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -59.71 -37.24 78.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.764 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -156.97 -32.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.697 -1.252 . . . . 0.0 109.769 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -65.27 -37.87 88.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.25 -39.8 96.49 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.715 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.93 -13.88 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.611 -1.523 . . . . 0.0 109.755 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.541 ' C ' ' H ' ' B' ' 218' ' ' ALA . 55.3 t -61.37 -39.83 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.693 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -63.25 8.32 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.132 -0.98 . . . . 0.0 110.342 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.541 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.09 -40.06 88.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.973 -1.079 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -175.34 175.66 2.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.166 -0.959 . . . . 0.0 109.469 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -89.07 4.82 47.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -61.71 -42.4 98.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 109.34 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tp -79.3 142.72 35.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.166 -0.959 . . . . 0.0 108.9 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -108.39 155.74 20.22 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.689 0.756 . . . . 0.0 110.639 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -66.6 -40.8 89.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.604 -0.685 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -63.33 -38.72 92.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.164 -0.96 . . . . 0.0 110.455 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -39.88 91.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.059 -1.026 . . . . 0.0 109.944 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.83 -38.83 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.78 73.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.922 -1.111 . . . . 0.0 109.526 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.746 -1.221 . . . . 0.0 110.406 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.68 -21.23 28.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.78 -43.35 99.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.694 -1.254 . . . . 0.0 108.942 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.43 -46.31 89.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.12 86.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.944 . . . . 0.0 109.337 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.19 -45.49 87.49 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 111.054 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -59.76 -37.01 77.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.003 -1.061 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -41.46 68.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.676 -1.265 . . . . 0.0 110.207 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -67.8 -38.07 82.84 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.753 -1.217 . . . . 0.0 109.62 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -84.5 84.36 7.68 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.703 -1.248 . . . . 0.0 110.077 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.81 -26.77 68.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.125 -0.984 . . . . 0.0 110.391 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.15 -26.99 69.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.938 -1.101 . . . . 0.0 109.92 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.29 13.61 79.64 Favored Glycine 0 N--CA 1.496 2.672 0 O-C-N 120.529 -1.357 . . . . 0.0 110.357 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -93.92 5.83 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.298 -1.119 . . . . 0.0 109.84 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.78 11.99 84.91 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -137.2 148.5 46.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -1.105 . . . . 0.0 109.026 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -105.32 130.44 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -106.25 156.54 18.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -54.67 -36.33 64.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.261 -0.899 . . . . 0.0 110.201 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.6 tttm -65.46 -41.98 92.82 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.978 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.611 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -56.14 6.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.54 97.11 Favored Glycine 0 N--CA 1.486 2.027 0 C-N-CA 119.191 -1.48 . . . . 0.0 109.868 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 93.9 m -59.23 -47.34 85.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.756 -1.438 . . . . 0.0 109.518 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.76 -38.24 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.67 -1.269 . . . . 0.0 109.388 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 41.9 ttp -65.6 -35.89 82.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.019 -1.051 . . . . 0.0 109.217 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' NH2' ' N ' ' A' ' 34' ' ' THR . 68.1 mtm-85 -57.21 -30.65 64.74 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.189 -0.945 . . . . 0.0 109.264 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.1 t -56.85 -37.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 18.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.608 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.48 43.54 92.2 Favored Glycine 0 N--CA 1.488 2.108 0 O-C-N 121.289 -0.882 . . . . 0.0 111.385 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -113.05 153.92 27.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.353 -1.086 . . . . 0.0 110.038 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -140.0 68.61 35.25 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.65 164.45 25.79 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 123.168 2.578 . . . . 0.0 113.031 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 p -104.02 163.93 12.05 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.705 0.764 . . . . 0.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -59.77 -42.65 93.79 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.011 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.33 93.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.005 . . . . 0.0 110.298 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.11 -46.86 85.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.836 -1.165 . . . . 0.0 110.249 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.98 -36.69 80.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.179 -0.951 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.37 -47.58 84.89 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.942 -1.099 . . . . 0.0 109.882 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' OE2' ' A' ' 54' ' ' GLU . 67.0 t0 -60.0 -43.61 95.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.873 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.8 mtt -63.92 -53.69 46.45 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.127 -0.983 . . . . 0.0 110.67 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -38.83 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.422 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -59.7 -39.63 85.23 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.379 -0.826 . . . . 0.0 111.537 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 50' ' ' ASP . 87.9 mt-10 -61.29 -40.07 92.76 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.036 -1.04 . . . . 0.0 112.255 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.49 3.57 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.812 -1.18 . . . . 0.0 110.474 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -79.41 108.41 12.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.016 -1.053 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.37 -24.66 17.28 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 41.6 p30 -91.71 -5.31 53.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.807 -1.183 . . . . 0.0 109.648 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.88 27.25 66.54 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -92.34 -0.01 57.41 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.182 -1.187 . . . . 0.0 109.696 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.35 15.72 78.91 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.416 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.4 p -141.28 162.77 34.7 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -1.187 . . . . 0.0 108.061 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.56 121.78 54.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 39.0 m-20 -90.35 154.0 20.01 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.781 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -47.51 -47.44 59.48 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.221 -0.924 . . . . 0.0 111.684 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.72 -37.55 86.58 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 CA-C-N 121.02 1.4 . . . . 0.0 110.905 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.31 -44.28 96.87 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.84 -45.07 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.363 0.602 . . . . 0.0 109.973 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.0 -39.37 78.09 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.052 0.93 . . . . 0.0 109.088 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -61.55 -45.51 93.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.85 -40.27 96.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 109.832 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.211 -0.93 . . . . 0.0 111.255 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.78 50.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.838 -1.164 . . . . 0.0 109.692 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 78' ' ' ASP . 26.7 tpt180 -58.43 -33.32 69.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.484 -0.76 . . . . 0.0 110.512 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.93 -46.91 84.29 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 109.122 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.2 -37.97 78.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.931 . . . . 0.0 110.728 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.15 -6.28 48.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.851 -1.156 . . . . 0.0 110.051 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' ARG . 12.9 t0 -170.39 -178.95 2.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.982 -1.074 . . . . 0.0 109.704 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.25 82.61 2.02 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.497 0.665 . . . . 0.0 109.894 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.11 -0.99 57.89 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -77.03 5.98 7.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -57.17 -36.02 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.87 -41.23 97.61 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.36 -37.28 84.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.305 -0.872 . . . . 0.0 109.121 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.67 -47.91 87.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -68.05 -39.77 82.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.663 -1.273 . . . . 0.0 110.454 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -70.96 -37.48 72.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.918 -1.114 . . . . 0.0 110.299 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.75 74.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.351 -0.843 . . . . 0.0 110.727 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.1 t80 -57.43 -39.52 76.43 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.943 -1.098 . . . . 0.0 109.032 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.56 -40.05 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.562 -0.712 . . . . 0.0 110.284 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.87 -40.84 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.206 -0.934 . . . . 0.0 109.502 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.79 -41.81 64.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -0.852 . . . . 0.0 110.104 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -81.19 82.67 7.02 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.029 -1.044 . . . . 0.0 110.221 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.78 -42.98 94.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.451 -0.78 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.9 p30 -68.96 -27.01 65.34 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.85 -1.156 . . . . 0.0 110.945 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.86 16.58 80.36 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.449 -1.357 . . . . 0.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.525 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 44.1 p-10 -72.12 -5.31 34.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.958 -1.319 . . . . 0.0 108.953 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 -0.04 82.52 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.664 -1.775 . . . . 0.0 108.664 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 49.8 m-85 -135.66 143.27 45.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.53 128.09 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.605 -1.309 . . . . 0.0 109.427 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 p -105.53 166.75 10.22 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.88 0.848 . . . . 0.0 110.639 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.21 91.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.826 -0.546 . . . . 0.0 111.833 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.16 83.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.366 -1.459 . . . . 0.0 108.483 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -61.67 -40.93 96.68 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 0.0 110.098 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -41.31 84.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.425 -0.797 . . . . 0.0 111.369 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 81.7 mtp180 -64.09 -37.09 86.19 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.228 -1.545 . . . . 0.0 109.959 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -65.02 -60.6 2.85 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.87 . . . . 0.0 112.651 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.08 -40.19 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.012 -1.055 . . . . 0.0 109.508 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.8 mtp -62.48 -38.6 90.49 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.085 -1.009 . . . . 0.0 110.063 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.4 m -65.11 -40.23 94.24 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 110.832 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.36 -22.31 66.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.128 -0.982 . . . . 0.0 111.014 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.57 8.06 36.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.934 -1.104 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.13 14.02 82.28 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -104.42 136.08 44.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.54 -0.976 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -142.47 120.08 11.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.981 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.35 -176.74 2.97 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.5 p -101.2 162.78 12.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.202 -0.937 . . . . 0.0 109.209 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.2 -38.85 80.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.37 -40.12 95.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.076 -1.015 . . . . 0.0 109.418 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.09 -44.25 92.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.131 -0.981 . . . . 0.0 109.779 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.13 -37.87 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.97 -44.96 95.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.12 -38.11 89.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 109.679 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 ttt -58.79 -40.62 84.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.83 -44.01 89.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.261 -0.899 . . . . 0.0 109.252 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.73 -47.46 85.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.697 -1.252 . . . . 0.0 110.768 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.61 -39.91 73.49 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.995 -1.066 . . . . 0.0 112.021 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.75 -18.58 56.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 111.571 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -68.8 97.81 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.929 -1.107 . . . . 0.0 110.757 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.65 -46.51 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.9 p30 -72.16 -24.97 61.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 0.0 108.475 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.573 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 87.19 16.37 60.92 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 52.6 p-10 -80.56 -5.58 56.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.34 -1.094 . . . . 0.0 110.201 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.53 84.7 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.711 -1.233 . . . . 0.0 110.17 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -137.95 156.61 47.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 121.63 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.051 -1.031 . . . . 0.0 108.603 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.74 -177.07 3.26 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.966 0.888 . . . . 0.0 110.309 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.0 m-85 -60.68 -40.49 92.37 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.94 -50.81 72.29 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.342 -0.849 . . . . 0.0 109.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -68.08 -41.08 82.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.251 -0.906 . . . . 0.0 109.295 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.853 -0.529 . . . . 0.0 111.2 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.4 -39.48 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.288 -1.508 . . . . 0.0 108.664 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.05 -38.64 86.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.618 -0.676 . . . . 0.0 112.361 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.452 ' N ' ' HE2' ' A' ' 144' ' ' MET . 30.0 mmt -65.52 -43.71 89.2 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.497 -1.377 . . . . 0.0 110.664 -176.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -38.92 70.15 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.995 -1.066 . . . . 0.0 111.333 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.19 50.49 0.76 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.741 -1.224 . . . . 0.0 109.228 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.11 143.36 35.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.373 -0.829 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.255 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.498 ' O ' ' SD ' ' A' ' 36' ' ' MET . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.515 ' H ' ' HB3' ' B' ' 204' ' ' PHE . 25.3 mmt -143.39 157.53 44.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 42.6 p-10 -55.82 -40.35 72.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.537 -1.352 . . . . 0.0 109.031 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.575 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.7 p -78.78 -26.44 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.042 -1.036 . . . . 0.0 110.42 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' B' ' 205' ' ' MET . 0.0 OUTLIER -49.3 -30.13 6.99 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.855 -1.153 . . . . 0.0 110.634 -178.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' MET . . . . . 0.534 ' N ' ' CD1' ' B' ' 204' ' ' PHE . 24.4 ptp -66.18 -27.17 67.8 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.585 -1.322 . . . . 0.0 108.647 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -75.9 -30.36 58.76 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.41 -17.98 41.76 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.86 -44.07 49.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.145 -1.209 . . . . 0.0 108.867 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 47.9 t -62.38 -44.77 95.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.62 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.33 -42.1 99.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.981 -1.074 . . . . 0.0 110.412 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -72.11 -21.02 61.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.115 -0.99 . . . . 0.0 109.418 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -97.76 -73.97 0.59 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.42 -40.71 85.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 110.172 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.78 -43.28 99.17 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.42 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -21.44 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.695 -1.473 . . . . 0.0 110.48 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.62 -36.76 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.159 -0.963 . . . . 0.0 110.821 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.49 71.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.152 -0.967 . . . . 0.0 111.098 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.65 85.81 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.573 -1.329 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -145.74 -86.25 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.426 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.934 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -86.46 -4.25 59.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -130.07 146.05 51.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.663 -0.648 . . . . 0.0 109.26 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -90.9 142.85 27.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.354 -0.841 . . . . 0.0 108.88 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -108.58 155.75 20.31 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.707 0.765 . . . . 0.0 110.345 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -37.24 84.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.706 -0.621 . . . . 0.0 109.633 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.21 -33.0 74.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.929 . . . . 0.0 109.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -58.33 -39.57 79.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.79 -37.57 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.776 -1.203 . . . . 0.0 108.614 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.11 75.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.952 -1.092 . . . . 0.0 110.481 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.67 -44.61 96.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 110.111 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.66 -13.51 45.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 108.885 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.26 -46.84 87.02 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.883 -1.136 . . . . 0.0 109.48 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -59.81 -47.18 86.74 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.227 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.34 86.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.309 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.44 -46.74 83.24 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.107 -0.996 . . . . 0.0 110.886 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -60.01 -39.42 85.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.038 -1.039 . . . . 0.0 111.238 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -42.04 70.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.729 -1.232 . . . . 0.0 110.489 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.09 -39.53 86.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.597 -1.315 . . . . 0.0 108.98 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 49.9 t0 -85.03 81.27 8.96 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.686 -1.259 . . . . 0.0 109.675 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -64.61 -22.89 67.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.938 . . . . 0.0 109.925 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.39 -30.74 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.102 -0.999 . . . . 0.0 110.465 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.68 5.78 86.49 Favored Glycine 0 N--CA 1.496 2.661 0 O-C-N 120.334 -1.478 . . . . 0.0 110.253 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -87.48 2.2 51.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.26 -1.141 . . . . 0.0 109.824 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.86 7.45 88.56 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.383 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 66.7 p -134.98 148.8 50.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.184 -1.186 . . . . 0.0 108.873 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.6 mt -101.23 130.02 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 79.8 p -107.31 157.9 17.57 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.437 0.637 . . . . 0.0 109.84 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -56.01 -34.54 65.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.8 tttt -66.31 -40.52 90.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.041 -1.037 . . . . 0.0 109.932 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 37.0 mt-10 -66.06 -41.15 91.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.699 . . . . 0.0 111.976 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -56.39 6.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.079 . . . . 0.0 110.678 -177.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.55 93.9 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.289 -1.434 . . . . 0.0 110.282 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 86.0 m -59.22 -46.66 87.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.672 -1.487 . . . . 0.0 108.976 -179.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.01 -40.12 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.767 -1.208 . . . . 0.0 110.169 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.5 ttp -64.78 -35.26 80.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.641 -1.287 . . . . 0.0 109.583 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -59.27 -29.19 67.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.159 -0.963 . . . . 0.0 109.403 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.638 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -58.01 -34.71 70.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.219 -0.926 . . . . 0.0 108.777 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 21.82 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 108.926 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.638 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 41.05 98.17 Favored Glycine 0 N--CA 1.483 1.803 0 O-C-N 120.976 -1.078 . . . . 0.0 110.669 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' OE1' ' SD ' ' B' ' 201' ' ' MET . 35.6 mt-30 -119.96 157.13 29.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.601 -0.94 . . . . 0.0 109.373 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -142.27 74.27 20.81 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.512 -0.742 . . . . 0.0 109.823 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.24 162.37 34.01 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.652 2.234 . . . . 0.0 112.912 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -102.07 170.01 8.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.661 0.743 . . . . 0.0 110.113 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -60.1 -43.64 95.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.239 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.45 94.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.072 -1.017 . . . . 0.0 109.96 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.62 -46.72 84.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.704 -1.247 . . . . 0.0 109.957 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.12 -39.71 86.7 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.323 -0.86 . . . . 0.0 110.342 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.684 HE22 ' ND2' ' A' ' 53' ' ' ASN . 10.7 tm0? -64.99 -41.78 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.0 -1.062 . . . . 0.0 108.437 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -67.14 -42.33 84.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.494 -0.754 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 6.8 mtm -60.94 -50.28 74.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.056 -1.027 . . . . 0.0 110.654 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -33.0 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.934 -1.104 . . . . 0.0 109.985 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.684 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.1 m-20 -58.27 -26.49 63.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.001 -1.062 . . . . 0.0 110.34 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.19 -21.83 65.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.078 -1.014 . . . . 0.0 110.615 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 p -134.26 25.95 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.277 -0.889 . . . . 0.0 111.719 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -91.3 104.12 16.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.727 -1.233 . . . . 0.0 109.104 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.64 -24.04 18.04 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.128 -0.982 . . . . 0.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 30.5 p30 -92.19 -8.22 46.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.864 -1.148 . . . . 0.0 109.223 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.05 24.94 69.06 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p-10 -95.28 0.95 54.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.31 -1.112 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.98 22.04 75.65 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.8 p -140.73 161.24 38.24 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.12 125.07 61.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.831 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -99.89 160.19 14.5 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.609 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -53.01 11.96 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.571 -0.706 . . . . 0.0 111.631 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.63 -37.47 68.99 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 CA-C-N 120.216 1.113 . . . . 0.0 111.111 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.33 -45.17 92.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.2 -48.02 81.85 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.383 0.611 . . . . 0.0 111.71 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.72 -38.61 85.65 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 121.831 0.824 . . . . 0.0 109.545 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.5 m -62.26 -43.23 99.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.0 ttp -63.4 -39.79 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.158 -0.963 . . . . 0.0 109.563 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -60.27 -42.35 95.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.832 -1.168 . . . . 0.0 110.445 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.8 -23.63 45.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.814 -1.179 . . . . 0.0 108.785 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.64 -38.33 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.61 -0.681 . . . . 0.0 109.936 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.28 -41.17 88.27 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.7 mtm -62.22 -36.95 83.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.518 -0.739 . . . . 0.0 109.438 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.83 -2.59 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.851 -1.155 . . . . 0.0 110.193 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 53.62 43.9 30.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.997 -1.064 . . . . 0.0 110.069 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.553 ' C ' ' H ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -93.74 91.38 6.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.31 -0.869 . . . . 0.0 108.737 179.656 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.1 t0 75.81 -34.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.78 -1.2 . . . . 0.0 108.242 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.553 ' H ' ' C ' ' A' ' 79' ' ' THR . 90.7 p -57.84 -21.19 41.29 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.1 pp20? -73.75 -35.92 65.08 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.705 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 88.5 tt0 -52.18 -29.8 24.01 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.607 -0.683 . . . . 0.0 109.95 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 26.8 mp0 -62.38 -15.47 48.93 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.38 -0.825 . . . . 0.0 109.506 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.429 HD11 HG21 ' A' ' 85' ' ' ILE . 60.0 mt -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.163 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -67.02 -37.6 84.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.73 -1.231 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.25 -39.69 93.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.766 -1.209 . . . . 0.0 109.743 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.84 34.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.125 -0.984 . . . . 0.0 109.596 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 26.8 t80 -59.33 -40.53 86.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.063 -1.023 . . . . 0.0 109.005 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.69 -39.92 95.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.604 -0.685 . . . . 0.0 110.434 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -74.02 -41.56 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.142 -0.974 . . . . 0.0 109.639 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.76 -40.78 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.07 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -83.08 84.77 7.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.993 -1.067 . . . . 0.0 110.462 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.25 -39.76 93.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.656 -0.653 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.66 -29.59 68.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.98 -1.075 . . . . 0.0 110.832 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.09 13.45 81.08 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.491 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 28.5 p-10 -71.33 -5.54 33.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.04 -1.271 . . . . 0.0 109.297 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.06 -1.81 80.79 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 108.439 -1.864 . . . . 0.0 108.439 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 65.7 m-85 -135.06 143.8 46.89 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.93 130.49 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.894 -1.129 . . . . 0.0 109.947 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -106.87 165.1 11.58 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.123 0.964 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.56 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.897 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.8 83.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.353 -1.467 . . . . 0.0 108.732 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 73.5 mt-10 -61.22 -40.18 93.04 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.248 -0.907 . . . . 0.0 110.196 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -38.08 85.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 111.461 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' O ' ' OG1' ' A' ' 110' ' ' THR . 90.6 mtm180 -65.13 -35.75 82.09 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.163 -1.586 . . . . 0.0 110.252 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.21 -62.12 1.82 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.261 -0.899 . . . . 0.0 112.864 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.65 -39.97 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.013 -1.054 . . . . 0.0 109.069 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.3 mtp -63.16 -39.3 94.27 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.996 -1.065 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 93.7 m -66.7 -40.54 88.52 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.139 -0.976 . . . . 0.0 111.478 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.0 -21.76 66.64 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.028 -1.045 . . . . 0.0 111.501 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -92.67 10.43 30.65 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.978 -1.076 . . . . 0.0 110.07 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.16 12.79 81.94 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -102.37 127.45 49.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.486 -1.008 . . . . 0.0 108.994 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -136.35 119.45 16.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.484 -0.76 . . . . 0.0 109.229 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -116.35 -177.12 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.41 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 72.9 p -101.25 161.86 13.31 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 109.24 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.8 p-10 -58.39 -37.46 75.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 110.253 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.489 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 70.7 mm-40 -62.97 -40.38 97.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 109.17 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' H ' ' HG1' ' A' ' 117' ' ' THR . 69.8 mm-40 -64.86 -43.75 91.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 109.675 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -72.61 -35.4 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.74 -43.21 94.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 109.291 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.91 -37.63 88.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.238 -0.914 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 mtt -53.05 -39.89 63.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.035 -1.041 . . . . 0.0 109.12 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -67.04 -41.66 87.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.405 -0.809 . . . . 0.0 109.825 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.13 -47.25 85.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.805 -1.185 . . . . 0.0 110.596 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.07 -41.41 95.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.125 -0.985 . . . . 0.0 111.925 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.88 -7.95 56.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.837 -1.164 . . . . 0.0 111.677 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.1 88.79 4.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.471 -1.393 . . . . 0.0 110.203 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.39 -44.73 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.621 -0.674 . . . . 0.0 111.412 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.9 p30 -78.1 -23.38 47.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.049 . . . . 0.0 109.125 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.57 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.91 23.89 58.85 Favored Glycine 0 N--CA 1.482 1.756 0 C-N-CA 119.532 -1.318 . . . . 0.0 109.824 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 44.5 p30 -78.12 -11.19 59.9 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.378 -1.072 . . . . 0.0 110.417 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.85 -11.18 71.3 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.0 mp0 -130.83 162.68 29.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.28 -1.13 . . . . 0.0 108.604 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -98.29 123.8 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.2 -178.86 3.72 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.893 0.854 . . . . 0.0 110.56 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.1 m-85 -59.42 -39.86 84.82 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.63 -50.54 73.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.449 -0.782 . . . . 0.0 109.839 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.71 -40.76 84.27 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.099 -1.001 . . . . 0.0 109.245 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -63.5 -47.22 82.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.8 -0.563 . . . . 0.0 110.987 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.53 -42.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.469 0 O-C-N 119.864 -1.772 . . . . 0.0 107.971 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -62.9 -39.78 95.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.423 -0.798 . . . . 0.0 110.244 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 ttt -61.2 -46.75 89.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -0.987 . . . . 0.0 110.47 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.8 mtp -71.37 -38.6 71.53 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 -178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.37 56.27 0.24 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.594 -1.316 . . . . 0.0 109.558 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.64 141.04 38.55 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.198 -0.938 . . . . 0.0 109.5 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.345 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.498 ' SD ' ' OE1' ' A' ' 41' ' ' GLN . 18.6 mmt -101.2 20.7 15.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.757 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.568 ' N ' ' SD ' ' A' ' 51' ' ' MET . 64.6 t0 -51.24 -32.55 24.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.227 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.56 ' O ' ' N ' ' B' ' 207' ' ' GLY . 5.5 p -67.48 -27.43 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.233 -0.917 . . . . 0.0 110.268 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.37 -49.73 76.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.538 -1.351 . . . . 0.0 109.738 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 98.6 mtp -68.39 -41.02 81.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.861 -1.149 . . . . 0.0 109.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.87 -22.77 55.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.888 . . . . 0.0 110.422 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -76.26 -2.29 72.72 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 8.0 mt -55.69 -50.86 69.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.124 -1.221 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' SER . . . . . 0.475 ' O ' ' N ' ' B' ' 213' ' ' GLU . 42.1 t -65.01 -45.25 86.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.868 -1.145 . . . . 0.0 110.332 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -61.99 -40.96 97.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.805 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -72.67 -21.17 61.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.58 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -106.97 -71.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.779 . . . . 0.0 109.889 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 209' ' ' SER . 88.7 tt0 -62.38 -46.32 89.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.09 -1.006 . . . . 0.0 110.449 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.92 98.25 Favored Glycine 0 N--CA 1.498 2.8 0 C-N-CA 119.649 -1.263 . . . . 0.0 110.563 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -22.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.649 -1.5 . . . . 0.0 110.434 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.577 ' C ' ' H ' ' B' ' 218' ' ' ALA . 54.3 t -61.45 -41.15 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.857 -1.152 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -69.87 29.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.068 -1.02 . . . . 0.0 109.697 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.577 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.77 -40.15 91.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.118 -0.989 . . . . 0.0 109.454 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -176.22 110.77 0.1 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.24 -11.25 60.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.0 109.256 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -118.57 128.19 54.32 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.22 148.12 52.44 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 p -107.33 156.8 18.51 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.933 0.873 . . . . 0.0 111.36 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.67 -35.72 76.94 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.282 0.563 . . . . 0.0 109.756 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.91 -39.7 86.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 0.0 109.952 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -63.03 -42.51 99.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.063 . . . . 0.0 110.216 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.07 -45.8 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.661 -1.274 . . . . 0.0 109.925 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.19 -43.3 99.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.932 -1.105 . . . . 0.0 110.775 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -87.9 -27.19 22.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.119 . . . . 0.0 110.658 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.52 -44.98 95.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.967 -1.083 . . . . 0.0 109.238 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.42 -46.88 88.44 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.862 . . . . 0.0 109.031 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -34.58 73.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 80.0 t80 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.169 -0.957 . . . . 0.0 111.537 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -59.67 -36.7 76.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.896 -1.127 . . . . 0.0 111.116 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -40.95 72.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.707 -1.246 . . . . 0.0 110.127 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -66.09 -40.01 90.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.781 -1.199 . . . . 0.0 109.314 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 26' ' ' THR . 52.7 t0 -84.64 80.99 9.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.621 -1.3 . . . . 0.0 109.712 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.08 -20.86 64.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 109.177 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -63.14 -27.52 69.43 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.581 -0.699 . . . . 0.0 109.878 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 9.28 68.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -92.77 4.02 54.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -1.165 . . . . 0.0 109.758 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 10.53 86.21 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.9 p -135.87 146.85 47.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.354 -1.086 . . . . 0.0 108.844 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -104.33 129.45 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.783 0.801 . . . . 0.0 108.997 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -105.58 157.37 17.44 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -54.64 -36.19 64.29 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 34' ' ' THR . 63.9 tttm -66.42 -40.7 89.7 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.051 -1.031 . . . . 0.0 110.057 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.8 -42.03 91.18 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.274 -0.891 . . . . 0.0 111.186 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -55.06 9.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.94 -40.42 96.87 Favored Glycine 0 N--CA 1.486 1.974 0 C-N-CA 119.264 -1.446 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 93.1 m -58.78 -46.51 87.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.667 -1.49 . . . . 0.0 109.2 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.3 -39.96 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.671 -1.268 . . . . 0.0 109.887 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 ttp -65.14 -37.59 87.91 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.598 -1.314 . . . . 0.0 109.205 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.48 -34.39 72.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.0 109.092 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.663 ' C ' ' H ' ' A' ' 40' ' ' GLY . 39.9 t -49.82 -34.89 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.196 -0.94 . . . . 0.0 108.775 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 20.54 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.663 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.32 46.55 94.08 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' B' ' 201' ' ' MET . 96.7 mt-30 -119.21 166.16 13.31 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.998 0.904 . . . . 0.0 110.562 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -140.36 76.97 24.9 Favored Pre-proline 0 C--N 1.299 -1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -74.77 159.86 41.57 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.83 2.353 . . . . 0.0 112.736 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.9 p -106.93 164.78 11.84 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.827 0.822 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.49 -42.81 92.97 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.234 0.54 . . . . 0.0 110.151 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.76 93.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.79 -46.77 74.21 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 110.172 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.88 -40.4 87.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.191 -0.943 . . . . 0.0 110.176 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -63.81 -44.35 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.902 -1.124 . . . . 0.0 108.841 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.53 -39.77 92.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.491 -0.756 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.0 -58.67 6.54 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 110.961 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -37.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.466 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -58.49 -37.97 76.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.374 -0.829 . . . . 0.0 111.279 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' B' ' 206' ' ' LYS . 8.5 pt-20 -59.95 -16.72 32.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.919 -1.113 . . . . 0.0 111.154 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 p -134.98 25.11 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.116 -0.99 . . . . 0.0 111.846 -178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.5 t0 -87.33 99.78 12.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.588 -1.32 . . . . 0.0 108.802 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.23 -24.59 17.42 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.335 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.532 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 31.4 p30 -89.18 -11.11 44.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.921 -1.112 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 65.16 24.22 70.28 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 p-10 -95.77 0.87 52.87 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.361 -1.082 . . . . 0.0 110.004 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.27 21.3 75.75 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.513 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.5 p -141.31 162.25 35.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.125 -1.22 . . . . 0.0 107.974 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.6 mt -102.84 122.79 55.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.316 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 m-20 -92.47 157.76 16.39 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -49.83 -46.46 80.6 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 120.956 -1.09 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.1 -39.44 69.59 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 CA-C-N 120.867 1.345 . . . . 0.0 111.23 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.32 -43.9 97.76 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 35.2 t80 -61.58 -44.54 96.83 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.29 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -58.73 -39.98 82.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.988 0.899 . . . . 0.0 109.682 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -64.63 -42.78 95.25 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.854 -0.529 . . . . 0.0 109.681 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.04 -41.65 98.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.126 -0.983 . . . . 0.0 108.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.26 -41.88 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 110.645 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.32 -26.44 52.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.77 -1.206 . . . . 0.0 108.584 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.44 -43.49 96.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.384 -0.823 . . . . 0.0 109.515 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 ttp -60.19 -44.78 94.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.614 -0.679 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 87.3 tttt -61.73 -38.8 89.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.015 . . . . 0.0 109.267 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 6.9 t70 83.71 61.57 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.301 0.572 . . . . 0.0 109.792 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -73.57 0.68 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.328 -0.857 . . . . 0.0 109.237 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 81' ' ' SER . 55.4 p-10 -73.96 -17.43 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.205 . . . . 0.0 108.682 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.7 m -53.03 -28.08 22.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.618 -0.676 . . . . 0.0 109.532 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.5 -42.26 91.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.059 . . . . 0.0 108.35 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.39 -38.09 88.95 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.723 -0.611 . . . . 0.0 109.69 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.7 -18.34 61.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.389 -0.819 . . . . 0.0 110.519 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -61.28 -45.25 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.965 -1.084 . . . . 0.0 109.291 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -65.89 -39.57 90.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.285 . . . . 0.0 110.978 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' OE2' ' OD1' ' B' ' 202' ' ' ASP . 86.3 tt0 -67.82 -37.12 81.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.005 -1.059 . . . . 0.0 110.586 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.07 72.67 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.244 -0.91 . . . . 0.0 110.381 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 34.4 t80 -58.05 -38.16 75.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.833 -1.167 . . . . 0.0 109.043 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -63.65 -37.24 86.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.542 -0.724 . . . . 0.0 109.58 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.41 -41.61 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.025 -1.047 . . . . 0.0 109.518 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -71.26 -41.54 69.93 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.564 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -84.6 87.26 7.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.01 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 64.0 tttm -66.41 -39.66 89.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.743 -0.598 . . . . 0.0 111.071 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.31 -29.38 68.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.997 -1.064 . . . . 0.0 110.92 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.28 13.4 82.84 Favored Glycine 0 N--CA 1.488 2.135 0 C-N-CA 119.42 -1.372 . . . . 0.0 109.834 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 33.0 p-10 -73.09 -5.54 39.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.955 -1.321 . . . . 0.0 109.467 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.08 85.68 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 43.4 m-85 -133.38 136.94 45.62 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.1 mt -95.06 124.19 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 110.514 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.8 p -95.09 167.51 11.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.272 -0.892 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.71 96.6 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.76 -0.587 . . . . 0.0 112.129 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.3 90.55 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.409 -1.432 . . . . 0.0 109.289 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 43.3 tt0 -63.56 -42.76 98.33 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.603 -0.686 . . . . 0.0 111.864 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.26 -36.61 84.67 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.961 -1.087 . . . . 0.0 110.447 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.5 ttp180 -64.43 -38.91 92.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.86 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -57.48 -58.56 7.74 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.271 -0.893 . . . . 0.0 112.644 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.57 -44.0 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.061 -1.025 . . . . 0.0 109.33 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 113' ' ' GLY . 97.8 mtp -66.11 -38.83 89.17 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.695 -1.253 . . . . 0.0 110.553 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 87.5 m -65.57 -50.09 66.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.996 -1.065 . . . . 0.0 110.299 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.49 -38.64 68.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.109 -0.994 . . . . 0.0 111.663 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.17 9.94 25.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.62 -0.675 . . . . 0.0 111.632 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -150.69 -96.03 0.14 Allowed Glycine 0 N--CA 1.489 2.217 0 C-N-CA 119.151 -1.5 . . . . 0.0 109.739 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 109' ' ' MET . 25.1 pt-20 -172.79 148.92 1.92 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.564 -1.551 . . . . 0.0 109.032 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -73.44 133.32 43.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.005 -1.059 . . . . 0.0 109.586 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -107.78 -167.99 1.32 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.401 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 59.7 p -100.83 158.99 15.56 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.857 -1.152 . . . . 0.0 108.883 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.99 -39.09 84.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.291 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -62.14 -40.83 97.27 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.911 -1.118 . . . . 0.0 109.048 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' H ' ' HG1' ' A' ' 117' ' ' THR . 66.0 mm-40 -62.58 -44.72 95.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.287 -0.883 . . . . 0.0 109.848 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.66 -36.21 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 109.6 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -48.71 80.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.015 -1.053 . . . . 0.0 110.455 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.34 -38.35 89.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.14 -43.11 92.0 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.07 -1.019 . . . . 0.0 109.339 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.03 -38.69 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.254 -0.904 . . . . 0.0 109.078 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -59.5 -48.52 81.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.148 -0.97 . . . . 0.0 110.619 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.99 -43.63 82.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.162 -0.961 . . . . 0.0 112.085 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.37 60.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.204 -0.935 . . . . 0.0 111.515 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -68.38 98.78 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.829 -1.169 . . . . 0.0 110.233 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.77 -45.16 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.615 -0.678 . . . . 0.0 111.18 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p-10 -74.73 -25.38 59.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.066 -1.022 . . . . 0.0 108.666 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.17 19.33 59.19 Favored Glycine 0 N--CA 1.481 1.67 0 C-N-CA 119.444 -1.36 . . . . 0.0 109.908 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.2 p-10 -81.51 -4.98 57.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.241 -1.153 . . . . 0.0 110.072 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 -0.54 81.09 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -137.64 152.71 49.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.362 -1.081 . . . . 0.0 108.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 64.0 t -93.7 122.81 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.924 -1.11 . . . . 0.0 108.373 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.582 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.07 -179.28 3.89 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.748 0.785 . . . . 0.0 110.067 -177.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.4 m-85 -60.11 -38.87 84.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -59.87 -50.73 72.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.382 -0.824 . . . . 0.0 109.925 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -67.57 -39.68 84.89 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.064 0.935 . . . . 0.0 108.816 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -65.19 -45.22 85.73 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.288 -0.883 . . . . 0.0 110.89 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.47 -41.62 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.621 0 O-C-N 119.846 -1.784 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.5 -38.56 87.78 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.271 -0.893 . . . . 0.0 111.429 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.479 ' N ' ' HE2' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.3 -49.55 63.77 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.942 -1.099 . . . . 0.0 110.596 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 mtp -67.73 -39.42 84.27 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 111.038 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 54.47 0.87 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.763 -1.211 . . . . 0.0 109.232 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.35 145.34 32.98 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.36 -0.838 . . . . 0.0 109.783 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.239 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.43 ' O ' ' CG1' ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.209 -1.033 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' B' ' 201' ' ' MET . 3.6 mpp? -63.57 -35.28 79.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.322 -0.861 . . . . 0.0 109.908 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 44.2 p-10 -49.7 -28.85 6.55 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.986 -1.071 . . . . 0.0 109.545 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.534 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 6.2 p -64.53 -7.34 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.0 109.783 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -55.15 -49.37 72.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.818 -1.176 . . . . 0.0 110.38 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.3 mtp -67.26 -41.31 85.78 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.618 -1.301 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.425 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 68.6 mttm -71.55 -41.28 69.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.901 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -76.59 -2.3 74.75 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 1.8 tt -45.8 -41.9 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.112 -1.228 . . . . 0.0 109.857 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 86.4 p -85.63 -14.63 45.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.036 -1.04 . . . . 0.0 110.434 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.36 0.62 21.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.366 -0.834 . . . . 0.0 110.043 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -61.32 -37.86 84.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.956 -1.09 . . . . 0.0 109.751 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -165.27 -23.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.748 -1.22 . . . . 0.0 109.675 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.9 -39.18 93.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 110.087 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 216' ' ' VAL . . . -59.32 -39.09 94.25 Favored Glycine 0 N--CA 1.499 2.847 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.394 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -51.71 -14.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.71 -1.465 . . . . 0.0 109.652 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.411 ' N ' ' C ' ' B' ' 214' ' ' GLY . 52.6 t -61.86 -37.78 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.482 -0.761 . . . . 0.0 110.713 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.86 79.42 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.956 -1.09 . . . . 0.0 111.275 -177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.05 91.77 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.56 -1.337 . . . . 0.0 109.394 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -145.48 -58.19 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.35 -0.843 . . . . 0.0 109.473 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.792 -1.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.85 -9.04 59.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.12 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -131.57 150.08 52.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.15 150.18 52.04 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.3 p -105.06 156.91 17.62 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.82 0.819 . . . . 0.0 110.227 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.63 -38.36 87.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.72 -0.613 . . . . 0.0 110.998 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.69 -40.99 96.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.914 -1.116 . . . . 0.0 110.448 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -62.98 -44.86 94.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.012 . . . . 0.0 111.29 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.13 -45.06 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.506 -1.371 . . . . 0.0 109.68 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.01 93.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.854 -1.154 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.06 -44.31 96.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.949 -1.094 . . . . 0.0 111.294 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CG ' ' SD ' ' A' ' 72' ' ' MET . 10.7 m-85 -88.19 -30.94 19.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.876 -1.14 . . . . 0.0 110.899 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.44 -44.69 95.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.908 -1.12 . . . . 0.0 109.29 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.41 -47.86 84.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.133 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.47 74.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.395 -0.816 . . . . 0.0 110.057 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.61 -46.26 84.32 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.112 -0.992 . . . . 0.0 111.633 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -59.43 -36.94 76.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.782 -1.199 . . . . 0.0 110.927 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -41.3 78.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.718 -1.239 . . . . 0.0 109.897 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -66.25 -40.32 90.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.187 . . . . 0.0 109.057 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.8 t0 -84.79 81.79 8.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.725 -1.234 . . . . 0.0 109.755 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.11 -23.83 67.47 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.057 -1.027 . . . . 0.0 110.269 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.052 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.14 10.53 78.33 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 120.541 -1.349 . . . . 0.0 110.26 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -91.63 3.18 55.64 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.35 -1.088 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.03 8.33 87.92 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 69.8 p -135.16 148.7 49.79 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.333 -1.098 . . . . 0.0 108.905 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -104.44 130.83 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.1 p -108.67 158.54 17.51 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.9 p -54.96 -35.77 64.62 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.228 -0.92 . . . . 0.0 110.209 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 34' ' ' THR . 39.8 ttmt -65.0 -41.55 95.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.767 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.85 -41.71 91.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.432 -0.793 . . . . 0.0 111.391 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -54.52 12.65 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.041 -1.037 . . . . 0.0 110.125 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.07 97.77 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.237 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 86.1 m -59.56 -46.08 89.96 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.901 -1.353 . . . . 0.0 109.827 -178.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.43 -33.21 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.763 -1.211 . . . . 0.0 109.165 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 tpp -61.51 -32.82 72.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.969 -1.082 . . . . 0.0 109.783 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.43 -34.18 72.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.165 -0.96 . . . . 0.0 110.039 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.574 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -59.22 -37.46 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.16 -0.963 . . . . 0.0 108.706 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.8 11.38 0.14 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.403 -0.811 . . . . 0.0 108.818 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.36 36.87 93.22 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.569 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -114.36 159.36 20.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.479 -1.013 . . . . 0.0 109.632 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -141.53 69.9 26.03 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.56 159.99 47.64 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.471 2.114 . . . . 0.0 112.351 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.1 p -101.01 168.51 9.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.381 -0.824 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -59.63 -44.37 93.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.778 -0.576 . . . . 0.0 110.082 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.78 94.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 0.0 109.684 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.06 -46.32 81.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.908 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.64 -39.27 91.27 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.141 -0.974 . . . . 0.0 109.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -61.27 -44.8 96.65 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.98 -40.0 94.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.751 . . . . 0.0 109.763 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.406 ' HE2' ' H ' ' B' ' 201' ' ' MET . 57.0 mtt -62.53 -51.55 66.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.708 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.34 -38.0 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.17 -0.956 . . . . 0.0 110.7 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -57.78 -37.66 74.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.604 -0.685 . . . . 0.0 110.836 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 1.2 pp20? -61.3 -13.88 22.49 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.139 -0.976 . . . . 0.0 111.366 -178.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.86 25.78 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 121.07 -1.019 . . . . 0.0 111.701 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -90.66 103.45 16.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.495 -1.378 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.07 -25.61 17.11 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.582 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -91.75 -7.2 50.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.792 -1.192 . . . . 0.0 109.136 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 61.72 25.32 65.41 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -94.13 0.59 55.92 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -1.119 . . . . 0.0 109.895 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.02 20.81 76.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 p -141.4 162.58 35.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.188 -1.183 . . . . 0.0 107.945 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -106.17 123.19 60.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.571 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.53 160.1 14.67 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.064 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -49.8 -45.29 79.8 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 111.254 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 -38.49 46.89 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 120.838 1.335 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.82 -45.09 94.22 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 30.4 t80 -61.58 -45.68 93.07 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.538 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.6 -39.92 89.9 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.18 0.991 . . . . 0.0 109.265 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -61.4 -44.17 97.61 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.24 -37.93 87.29 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.527 ' SD ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 mtp -60.89 -41.45 96.08 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.65 54.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.984 -1.073 . . . . 0.0 108.76 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 42.1 ttm180 -60.94 -38.24 85.12 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.421 -0.799 . . . . 0.0 110.528 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 77' ' ' LYS . 63.4 tttm -58.68 -47.42 84.59 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.172 -0.955 . . . . 0.0 110.298 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ptm -65.78 7.24 0.27 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.745 -1.222 . . . . 0.0 109.547 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 75' ' ' LYS . 67.5 mttm -115.09 -122.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -163.27 95.01 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.261 -1.524 . . . . 0.0 110.205 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -148.81 -73.13 0.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.143 -0.973 . . . . 0.0 108.56 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.57 -1.78 58.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -49.25 -42.61 41.25 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.87 -40.73 87.93 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.853 -1.154 . . . . 0.0 109.586 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.22 -44.43 83.84 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.546 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.15 -36.98 69.49 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.822 -1.174 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 85' ' ' ILE . 77.3 mt -67.48 -44.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.068 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.76 -38.79 80.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.109 -0.994 . . . . 0.0 110.714 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -65.36 -38.8 91.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.005 -1.059 . . . . 0.0 109.91 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.4 72.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.447 -0.783 . . . . 0.0 110.484 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.637 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.9 t80 -58.73 -38.97 79.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.986 -1.071 . . . . 0.0 108.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -62.54 -39.83 94.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.565 -0.71 . . . . 0.0 110.523 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.42 -40.04 24.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.051 -1.031 . . . . 0.0 109.453 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.24 -40.49 81.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -78.9 83.2 5.03 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.099 -1.001 . . . . 0.0 109.996 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -71.08 -42.19 69.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.417 -0.802 . . . . 0.0 111.301 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 14.0 p-10 -68.4 -27.58 66.34 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.821 -1.174 . . . . 0.0 110.727 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.49 80.38 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.545 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.8 p-10 -71.55 -4.2 25.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.775 -1.427 . . . . 0.0 108.638 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.9 -1.32 86.81 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.7 m-85 -135.34 140.19 44.88 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -89.58 118.33 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.303 -1.498 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.431 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 89.1 p -94.0 170.55 9.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 110.937 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.71 86.41 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.6 -0.688 . . . . 0.0 112.421 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.14 95.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.584 -1.322 . . . . 0.0 111.002 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 101' ' ' SER . 10.6 pt-20 -69.9 -27.1 64.52 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 111.883 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 tt -69.84 -38.02 76.35 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.765 -1.209 . . . . 0.0 110.994 -178.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.07 -35.34 79.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.052 -1.03 . . . . 0.0 111.268 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.59 -56.16 25.71 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.18 -0.95 . . . . 0.0 112.813 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.38 -39.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.057 . . . . 0.0 108.539 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 95.2 mtp -62.23 -38.25 88.48 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.964 -1.085 . . . . 0.0 110.26 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.9 m -66.09 -40.01 90.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.217 -0.927 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.19 -22.6 66.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.896 -1.127 . . . . 0.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.49 10.08 33.93 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.095 -1.003 . . . . 0.0 109.791 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.2 18.69 80.02 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.11 140.9 40.63 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.492 -1.005 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -154.26 130.22 10.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.755 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -118.49 -173.04 2.39 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.2 p -98.27 162.61 13.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.084 -1.01 . . . . 0.0 109.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.15 -39.48 86.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.051 -1.03 . . . . 0.0 110.297 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.65 -40.07 95.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.046 . . . . 0.0 109.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -43.2 95.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.874 . . . . 0.0 109.686 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.92 -37.97 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.7 -46.3 90.27 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.101 -0.999 . . . . 0.0 110.055 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.49 -38.58 91.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.096 -1.003 . . . . 0.0 110.467 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.77 -39.63 89.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 0.0 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -70.08 -41.54 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 120.965 -1.084 . . . . 0.0 109.45 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.41 -47.77 84.27 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.158 -0.964 . . . . 0.0 110.722 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.52 -40.63 69.99 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.916 -1.115 . . . . 0.0 111.902 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.44 61.86 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.834 -1.166 . . . . 0.0 110.612 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -71.22 106.06 3.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.81 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -45.94 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.683 -0.636 . . . . 0.0 111.219 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p30 -75.69 -23.69 56.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 108.809 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 84.18 19.89 60.01 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -75.64 -10.36 59.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.372 -1.075 . . . . 0.0 109.938 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.41 -11.05 71.09 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.7 mp0 -130.77 159.76 36.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.256 -1.143 . . . . 0.0 108.469 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 123.2 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.52 -178.0 3.47 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.874 0.845 . . . . 0.0 110.603 -177.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.637 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 m-85 -60.62 -40.31 91.43 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.36 -49.28 78.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.252 -0.905 . . . . 0.0 109.768 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.09 -39.85 78.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.439 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -41.96 77.13 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.799 -0.563 . . . . 0.0 111.981 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.415 ' O ' ' OG1' ' A' ' 146' ' ' THR . 69.6 t -65.47 -40.05 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 120.054 -1.654 . . . . 0.0 109.314 -178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -61.41 -37.67 84.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 111.353 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 mmt -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.774 -1.204 . . . . 0.0 110.662 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 16.6 mtp -91.45 2.3 56.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 111.356 -177.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -125.53 52.11 1.66 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.359 -0.838 . . . . 0.0 109.051 179.051 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.09 141.94 37.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.333 -0.855 . . . . 0.0 109.546 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.382 -179.8 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.876 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.406 ' H ' ' HE2' ' A' ' 51' ' ' MET . 23.7 mmt -68.2 -28.5 67.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 53.3 p30 -50.07 -28.67 7.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.797 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.1 p -71.63 -22.51 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.007 -1.058 . . . . 0.0 110.22 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.1 OUTLIER -50.51 -33.91 23.24 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.845 -1.159 . . . . 0.0 110.196 -177.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 22.8 ptp -65.84 -19.7 65.97 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.455 -1.403 . . . . 0.0 108.542 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -94.24 -56.17 2.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.82 . . . . 0.0 109.933 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -61.68 -26.61 67.01 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' B' ' 208' ' ' LEU . 1.5 tm? -60.13 -47.33 86.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.289 . . . . 0.0 110.177 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 84.8 p -86.29 -13.0 47.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.898 -1.126 . . . . 0.0 110.284 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -114.29 4.2 15.36 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.434 -0.791 . . . . 0.0 110.221 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -62.68 -38.15 89.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.94 -1.1 . . . . 0.0 109.974 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -95.5 -37.74 10.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.026 -1.046 . . . . 0.0 109.988 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.67 -40.72 92.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.914 -1.116 . . . . 0.0 109.945 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -60.52 -39.59 96.6 Favored Glycine 0 N--CA 1.5 2.938 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.697 -179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.35 -11.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.737 -1.449 . . . . 0.0 109.539 -179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' B' ' 214' ' ' GLY . 55.9 t -61.81 -41.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.314 -0.866 . . . . 0.0 110.469 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.17 93.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.962 -1.086 . . . . 0.0 111.436 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -93.08 -18.85 22.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.813 -1.18 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -138.91 -118.43 0.14 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.55 -0.719 . . . . 0.0 109.427 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.87 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -90.07 -1.16 57.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -63.03 -39.38 94.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.2 tp -135.97 149.56 48.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 109.051 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -108.96 157.09 18.98 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.35 -39.86 95.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 110.607 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.0 -38.78 89.91 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.974 -1.079 . . . . 0.0 110.822 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.03 -40.49 95.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.895 -1.128 . . . . 0.0 110.446 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.72 -40.57 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.493 -1.379 . . . . 0.0 109.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.54 75.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 109.679 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.58 -43.42 98.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.989 -1.069 . . . . 0.0 110.164 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.68 -19.94 26.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.981 -1.074 . . . . 0.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.47 -43.26 99.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.646 -1.283 . . . . 0.0 108.986 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.45 -46.2 89.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.0 109.398 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.91 85.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.195 -0.941 . . . . 0.0 109.365 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.83 -46.03 85.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.224 -0.922 . . . . 0.0 111.193 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.72 -21.77 66.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.062 . . . . 0.0 111.768 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -41.65 91.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.514 -1.366 . . . . 0.0 110.221 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.0 -37.0 75.56 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.063 -1.023 . . . . 0.0 109.75 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.8 t0 -82.73 83.03 7.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.657 -1.277 . . . . 0.0 109.877 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.1 -27.23 68.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.185 -0.947 . . . . 0.0 109.824 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.28 -28.2 69.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.0 109.697 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.05 13.05 81.28 Favored Glycine 0 N--CA 1.497 2.71 0 O-C-N 120.608 -1.307 . . . . 0.0 110.238 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -90.65 3.46 54.11 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.287 -1.125 . . . . 0.0 110.044 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.03 8.67 87.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 79.6 p -135.96 149.54 48.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -1.114 . . . . 0.0 109.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -102.92 130.69 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -104.62 155.13 19.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.264 0.554 . . . . 0.0 109.568 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.0 p -56.64 -31.99 64.89 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.268 -0.895 . . . . 0.0 110.372 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' O ' ' OG1' ' A' ' 34' ' ' THR . 68.3 mttm -70.48 -39.05 74.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.975 -1.078 . . . . 0.0 109.615 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -41.42 92.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.275 -0.89 . . . . 0.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD2' ' O ' ' B' ' 200' ' ' ACE . 0.4 OUTLIER -71.43 -55.8 7.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.066 -1.021 . . . . 0.0 110.348 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.3 -41.23 98.29 Favored Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.423 -1.37 . . . . 0.0 110.017 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -60.92 -47.06 88.14 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -1.2 . . . . 0.0 109.587 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.51 -37.99 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.657 -1.277 . . . . 0.0 109.345 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.526 ' SD ' ' N ' ' B' ' 201' ' ' MET . 12.0 ttp -63.98 -36.26 83.38 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.961 -1.087 . . . . 0.0 108.946 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -55.35 -34.83 64.59 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.609 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -58.33 -34.15 70.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -0.945 . . . . 0.0 108.774 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.04 19.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.428 -0.795 . . . . 0.0 108.903 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.609 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 37.49 94.52 Favored Glycine 0 N--CA 1.484 1.855 0 O-C-N 121.109 -0.994 . . . . 0.0 110.85 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.22 161.65 20.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.447 -1.031 . . . . 0.0 109.753 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -141.31 71.57 26.9 Favored Pre-proline 0 C--N 1.301 -1.535 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.58 154.03 57.2 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.322 2.681 . . . . 0.0 112.641 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -106.96 166.05 10.89 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.687 0.756 . . . . 0.0 109.777 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.97 -42.92 95.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.614 -0.679 . . . . 0.0 110.043 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.16 95.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.171 -0.955 . . . . 0.0 110.048 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.14 -47.21 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.784 -1.198 . . . . 0.0 110.383 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.41 -40.93 73.58 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.268 -0.895 . . . . 0.0 111.799 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -62.58 -50.14 72.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.427 -1.421 . . . . 0.0 109.942 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.53 -43.84 98.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.54 ' CE ' ' SD ' ' B' ' 201' ' ' MET . 3.6 mmm -63.36 -51.24 66.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 111.099 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -38.57 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 110.717 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.49 -39.11 82.69 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.473 -0.767 . . . . 0.0 111.694 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.77 -38.01 83.82 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.063 -1.023 . . . . 0.0 111.843 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.82 4.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 120.927 -1.108 . . . . 0.0 110.72 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -79.91 108.29 13.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.875 -1.141 . . . . 0.0 109.246 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.99 -23.94 17.84 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.277 -0.889 . . . . 0.0 110.783 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 33.0 p30 -92.79 -4.24 53.36 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.927 -1.108 . . . . 0.0 109.285 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.93 27.92 62.79 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.2 p-10 -93.27 1.26 57.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.264 -1.139 . . . . 0.0 109.981 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.91 16.95 76.63 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.404 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -141.29 160.58 39.81 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.19 -1.183 . . . . 0.0 107.869 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.4 mt -101.81 120.95 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.227 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -88.58 152.24 21.97 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.431 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.6 t80 -44.41 -53.21 14.97 Favored Pre-proline 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 111.648 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.1 Cg_endo -58.06 -33.91 97.84 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 120.67 1.275 . . . . 0.0 111.502 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.81 -43.94 91.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.694 -1.254 . . . . 0.0 107.685 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.32 -45.54 94.02 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.598 0.714 . . . . 0.0 110.389 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.48 -39.68 80.62 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.007 0.908 . . . . 0.0 109.666 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.1 m -61.94 -45.22 94.64 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.71 -39.37 93.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.109 -0.994 . . . . 0.0 110.072 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.99 -42.7 90.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 110.959 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.75 49.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.904 -1.123 . . . . 0.0 108.908 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 78' ' ' ASP . 52.4 ttt85 -62.75 -40.95 98.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.403 -0.811 . . . . 0.0 109.893 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 78' ' ' ASP . 55.4 tptt -59.87 -45.21 93.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 tpp -58.52 -39.64 80.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 0.0 109.468 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -105.02 11.63 33.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.277 -0.889 . . . . 0.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 74' ' ' ARG . 35.7 t0 -169.28 -175.04 2.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.811 -1.18 . . . . 0.0 110.121 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.43 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.6 OUTLIER -137.53 97.5 3.47 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.54 -0.725 . . . . 0.0 110.078 -179.607 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.36 -1.88 57.49 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.3 p -75.14 2.32 11.09 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.87 -40.33 75.98 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.1 -39.45 86.72 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.39 -29.77 69.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.682 -0.637 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -58.71 -46.79 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -69.25 -39.53 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.521 -1.362 . . . . 0.0 110.611 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -69.56 -38.79 77.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.983 -1.073 . . . . 0.0 110.599 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.36 72.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.452 -0.78 . . . . 0.0 111.086 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 25.5 t80 -58.81 -39.08 80.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.558 -1.339 . . . . 0.0 109.114 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.54 -37.33 87.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.763 . . . . 0.0 110.114 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.62 -40.96 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.978 -1.076 . . . . 0.0 109.458 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -71.21 -40.68 70.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -80.57 83.84 6.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.018 -1.051 . . . . 0.0 110.197 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.3 -44.63 91.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.443 -0.785 . . . . 0.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p30 -68.91 -26.93 65.34 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.917 -1.114 . . . . 0.0 110.978 -178.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.559 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 73.22 17.12 78.64 Favored Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.604 -1.284 . . . . 0.0 109.958 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.7 p-10 -70.8 -5.72 32.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.957 -1.319 . . . . 0.0 108.762 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.18 -1.6 80.18 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 58.9 m-85 -134.41 141.69 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -96.71 128.94 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.0 109.419 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 p -106.61 165.81 11.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.941 0.877 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.95 88.5 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.884 -0.51 . . . . 0.0 111.606 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.96 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.381 -1.449 . . . . 0.0 108.508 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -61.58 -39.9 92.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.295 -0.878 . . . . 0.0 110.227 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -39.47 87.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.294 -0.879 . . . . 0.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 110' ' ' THR . 89.8 mtm180 -63.9 -37.57 87.9 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.423 -1.423 . . . . 0.0 110.167 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -63.54 -60.78 2.89 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.261 -0.899 . . . . 0.0 112.743 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.05 -40.2 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.77 -39.01 92.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 95.3 m -65.29 -40.24 93.59 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.333 -0.854 . . . . 0.0 110.762 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.17 -22.99 67.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.161 -0.962 . . . . 0.0 110.958 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.28 7.52 40.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.936 -1.103 . . . . 0.0 109.913 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.37 81.92 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' B' ' 212' ' ' LYS . 87.1 tt0 -103.52 127.2 50.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.476 -1.014 . . . . 0.0 108.885 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -135.59 119.58 17.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 109.569 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.06 -177.2 3.07 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -101.11 163.69 12.16 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.173 -0.954 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.42 -41.5 85.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.279 -0.888 . . . . 0.0 110.533 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.74 -39.8 92.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.989 -1.07 . . . . 0.0 109.273 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' OE1' ' CB ' ' B' ' 218' ' ' ALA . 69.5 mm-40 -64.34 -42.78 96.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.277 -0.889 . . . . 0.0 109.664 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.7 t -71.9 -33.17 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.2 -38.84 80.89 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.233 -0.917 . . . . 0.0 109.323 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 77.2 mm-40 -61.2 -38.93 88.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.108 -0.995 . . . . 0.0 109.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.7 mtt -61.17 -42.27 98.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.002 . . . . 0.0 110.381 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.78 -46.04 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.031 -1.043 . . . . 0.0 110.045 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 123' ' ' GLU . 87.2 mtm180 -63.57 -40.79 97.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.881 -1.137 . . . . 0.0 111.389 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.73 -38.91 87.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 110.803 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.87 -0.11 57.37 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.134 -0.979 . . . . 0.0 111.094 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.3 85.71 5.77 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.82 -1.175 . . . . 0.0 109.984 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.49 -42.34 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.0 110.88 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.3 p30 -79.28 -25.19 42.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 0.0 109.361 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.572 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.36 20.15 67.45 Favored Glycine 0 N--CA 1.481 1.697 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.6 p-10 -78.16 -10.24 59.54 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.394 -1.062 . . . . 0.0 110.035 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.9 -9.46 77.2 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -132.49 166.26 22.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.318 -1.107 . . . . 0.0 108.651 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.61 124.19 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.61 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.49 -175.62 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.944 0.878 . . . . 0.0 110.341 -177.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.8 m-85 -62.75 -39.73 95.05 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.85 -50.99 71.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 109.659 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -66.22 -41.35 90.23 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 121.21 -0.931 . . . . 0.0 109.327 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -64.01 -47.1 81.63 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.688 -0.633 . . . . 0.0 110.552 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.73 -43.3 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 120.148 -1.595 . . . . 0.0 108.623 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.0 -37.51 87.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.787 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.7 ttp -61.22 -38.87 88.16 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.057 -1.027 . . . . 0.0 110.712 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.3 mtp -83.96 -16.46 44.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.009 -1.057 . . . . 0.0 112.831 -177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.26 54.57 3.11 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.361 -1.462 . . . . 0.0 109.267 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.16 145.32 32.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.325 -0.86 . . . . 0.0 109.747 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.029 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.449 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . . . . . . 0 C--O 1.212 -0.914 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.54 ' SD ' ' CE ' ' A' ' 51' ' ' MET . 24.1 mtt -72.32 154.82 40.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.328 -0.858 . . . . 0.0 108.887 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 32.6 p-10 -51.19 -46.24 62.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.719 -1.238 . . . . 0.0 109.543 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.461 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.6 p -74.99 -30.38 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.837 -1.165 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 205' ' ' MET . 0.0 OUTLIER -51.91 -47.37 64.64 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.103 -0.998 . . . . 0.0 111.544 -178.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 204' ' ' PHE . 23.5 ptp -64.65 -32.85 74.69 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.476 -1.39 . . . . 0.0 109.09 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -70.08 -34.19 72.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 0.0 109.704 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -61.9 -11.94 33.39 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.36 -45.73 80.33 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.886 -1.361 . . . . 0.0 109.965 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 213' ' ' GLU . 48.0 t -62.19 -48.95 77.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.075 -1.015 . . . . 0.0 111.043 -178.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -64.14 -40.44 96.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.0 111.246 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.54 62.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.932 -1.105 . . . . 0.0 109.95 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 114' ' ' GLU . 74.1 mmtt -111.58 1.06 16.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.44 -0.787 . . . . 0.0 109.975 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 209' ' ' SER . 52.8 tp10 -63.03 -50.36 70.96 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.604 -1.31 . . . . 0.0 110.759 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -65.9 -42.06 95.12 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.853 -1.154 . . . . 0.0 111.332 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -1.31 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.059 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' B' ' 214' ' ' GLY . 46.1 t -61.92 -38.21 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.283 -0.886 . . . . 0.0 110.556 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.082 -1.011 . . . . 0.0 111.094 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.437 ' CB ' ' OE1' ' A' ' 120' ' ' GLU . . . -60.41 -40.16 89.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.393 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -154.6 -94.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.426 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 4' ' ' LEU . 65.8 t0 -85.47 76.27 10.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.208 -0.932 . . . . 0.0 109.58 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.83 -40.22 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.253 -0.905 . . . . 0.0 109.47 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -134.41 148.84 50.72 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -106.18 156.96 17.93 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.62 0.724 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.77 -39.4 88.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.648 -0.658 . . . . 0.0 110.355 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -58.65 -43.81 89.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.965 -1.084 . . . . 0.0 110.081 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -61.98 -45.58 92.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.117 -0.99 . . . . 0.0 111.313 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.89 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.318 -1.489 . . . . 0.0 109.61 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.44 91.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.988 -1.07 . . . . 0.0 110.537 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.67 -44.7 96.45 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.956 -1.09 . . . . 0.0 110.681 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -88.12 -28.35 21.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.021 -1.05 . . . . 0.0 110.557 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -62.91 -43.53 98.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.871 -1.143 . . . . 0.0 109.296 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.04 -46.74 88.54 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.755 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.41 68.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 0.0 110.087 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -58.36 -46.85 85.49 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.148 -0.97 . . . . 0.0 111.48 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.67 -36.82 77.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 111.046 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -40.76 73.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.728 -1.233 . . . . 0.0 109.933 -178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -66.36 -40.33 89.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.765 -1.209 . . . . 0.0 109.276 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 48.9 t0 -84.23 82.06 8.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.562 -1.336 . . . . 0.0 109.878 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.72 -25.17 68.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.899 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.64 -27.35 69.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.041 -1.037 . . . . 0.0 110.128 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.01 79.94 Favored Glycine 0 N--CA 1.497 2.754 0 O-C-N 120.475 -1.391 . . . . 0.0 110.567 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -92.19 3.6 55.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.213 -1.169 . . . . 0.0 110.162 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 7.01 88.97 Favored Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.201 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 70.6 p -134.76 149.1 50.38 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.35 -1.088 . . . . 0.0 108.873 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.3 mt -105.96 131.66 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.0 p -108.07 158.67 17.2 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.263 0.554 . . . . 0.0 110.033 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.6 p -55.98 -34.55 65.84 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.269 -0.894 . . . . 0.0 110.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 34' ' ' THR . 97.9 mttt -67.87 -39.75 83.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.964 -1.085 . . . . 0.0 109.795 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.5 -42.54 92.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 0.0 110.553 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 -53.15 16.97 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.241 -0.912 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.94 98.35 Favored Glycine 0 N--CA 1.486 2.009 0 C-N-CA 119.261 -1.447 . . . . 0.0 109.742 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 86.5 m -60.5 -46.41 90.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.365 . . . . 0.0 109.273 -179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.59 -37.78 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.76 -1.213 . . . . 0.0 109.051 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 ttt -62.26 -35.6 79.46 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.03 -1.044 . . . . 0.0 109.135 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.98 -37.34 76.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.402 -0.811 . . . . 0.0 109.724 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.586 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.0 m -59.6 -30.1 68.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.207 -0.933 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.37 16.83 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.322 -0.861 . . . . 0.0 108.881 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.01 33.23 86.67 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -113.6 160.31 18.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.603 -0.939 . . . . 0.0 109.505 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -140.3 69.99 33.44 Favored Pre-proline 0 C--N 1.296 -1.74 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.69 160.03 44.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 122.42 2.08 . . . . 0.0 112.21 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.0 p -104.47 168.73 8.9 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.743 0.782 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.62 -42.96 93.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.083 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.077 -1.014 . . . . 0.0 110.04 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.64 -45.27 87.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.91 -1.119 . . . . 0.0 110.123 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.83 -38.0 82.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.356 -0.84 . . . . 0.0 109.475 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -60.4 -47.43 86.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.252 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.05 -41.99 98.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.89 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 47.7 mtt -59.99 -50.72 72.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.997 -1.064 . . . . 0.0 110.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -36.81 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.966 -1.084 . . . . 0.0 110.766 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.81 -35.79 71.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.443 -0.786 . . . . 0.0 110.611 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.92 -19.61 52.71 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 111.382 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.26 27.7 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 121.059 -1.025 . . . . 0.0 111.704 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -92.23 101.93 14.43 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.686 -1.259 . . . . 0.0 108.777 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.07 -18.04 21.34 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 64' ' ' ASP . 64.1 m-20 -89.89 -14.65 33.81 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.888 -1.132 . . . . 0.0 108.547 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.55 18.85 68.35 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 107.71 -2.156 . . . . 0.0 107.71 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.13 1.67 54.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.632 -0.922 . . . . 0.0 110.293 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.91 22.49 75.74 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 60.1 p -140.68 160.6 39.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.235 -1.156 . . . . 0.0 108.107 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.2 122.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.375 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 65.7 m-20 -93.29 157.32 16.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.972 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 31.0 t80 -46.86 -51.55 38.26 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.7 -35.35 94.98 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 120.958 1.378 . . . . 0.0 111.515 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.18 -43.91 93.63 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.65 -43.98 97.83 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.24 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.43 -39.64 88.16 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.929 0.871 . . . . 0.0 109.717 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.92 -42.98 99.72 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttp -60.96 -40.65 94.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.208 -0.932 . . . . 0.0 109.005 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -40.37 91.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.085 -1.009 . . . . 0.0 110.272 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.67 55.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.971 -1.081 . . . . 0.0 108.83 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -57.73 -25.06 59.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.464 -0.773 . . . . 0.0 110.446 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 210' ' ' LYS . 38.5 ttpt -56.55 -45.5 81.19 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.132 -0.98 . . . . 0.0 109.061 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -63.74 -40.78 97.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.224 -0.923 . . . . 0.0 110.107 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.84 -37.85 73.18 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.146 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.1 t0 58.08 60.23 2.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.237 -0.914 . . . . 0.0 109.431 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -76.21 0.49 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.103 -0.998 . . . . 0.0 110.059 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.85 -24.62 24.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.842 -1.161 . . . . 0.0 109.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.521 ' OG ' ' NZ ' ' B' ' 206' ' ' LYS . 70.4 m -54.3 -22.96 13.34 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.601 -0.687 . . . . 0.0 109.211 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.37 -46.24 86.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.1 -38.19 87.95 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.216 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -72.05 -23.39 61.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.275 -0.891 . . . . 0.0 110.198 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.37 -39.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -63.49 -37.37 87.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.767 -1.208 . . . . 0.0 110.214 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.4 -36.85 83.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.951 -1.093 . . . . 0.0 109.665 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.46 63.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.231 -0.918 . . . . 0.0 109.867 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 33.4 t80 -55.83 -37.95 69.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.007 -1.058 . . . . 0.0 109.201 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -65.24 -37.03 85.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.356 -0.84 . . . . 0.0 109.966 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -40.85 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.953 -1.092 . . . . 0.0 109.445 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -72.3 -41.7 66.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.44 -0.787 . . . . 0.0 109.855 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -81.47 83.81 6.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 110.035 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -65.14 -42.92 93.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.502 -0.749 . . . . 0.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.8 p30 -68.7 -26.91 65.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.957 -1.09 . . . . 0.0 110.945 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.27 14.77 81.61 Favored Glycine 0 N--CA 1.489 2.178 0 C-N-CA 119.462 -1.351 . . . . 0.0 109.817 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.7 p-10 -69.92 -5.68 27.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.977 -1.308 . . . . 0.0 108.705 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.77 2.81 81.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 36.4 m-85 -136.94 145.77 44.64 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.43 127.48 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.804 -1.185 . . . . 0.0 108.754 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 p -105.72 166.37 10.51 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.975 0.893 . . . . 0.0 110.705 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.75 88.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.871 -0.518 . . . . 0.0 111.398 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.5 86.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.434 -1.416 . . . . 0.0 108.643 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.54 -41.22 97.03 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -39.71 85.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.0 110.761 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.443 ' O ' ' OG1' ' A' ' 110' ' ' THR . 89.3 mtm180 -64.83 -37.21 86.84 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.437 -1.414 . . . . 0.0 110.167 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -65.07 -60.51 2.95 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.339 -0.851 . . . . 0.0 112.532 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.55 -40.51 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.055 -1.028 . . . . 0.0 109.29 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.1 mtp -62.23 -38.28 88.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.117 -0.99 . . . . 0.0 110.193 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 94.3 m -64.78 -40.25 94.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.223 -0.923 . . . . 0.0 110.742 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.25 -22.47 66.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.137 -0.977 . . . . 0.0 111.191 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.46 7.87 30.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.794 -1.191 . . . . 0.0 109.775 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.25 13.76 82.45 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -108.65 141.5 40.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.7 -0.883 . . . . 0.0 109.212 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.9 124.62 11.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.28 -176.86 3.0 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.7 p -100.88 163.67 12.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.157 -0.964 . . . . 0.0 109.214 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.56 -39.45 84.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.112 -0.992 . . . . 0.0 110.12 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.21 -40.21 95.33 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 109.358 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.47 -43.45 94.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.256 -0.902 . . . . 0.0 109.694 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.07 -37.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.76 -43.12 98.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.037 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.79 -37.9 88.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.07 -1.019 . . . . 0.0 110.054 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.0 mtt -61.09 -39.87 91.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.302 -0.874 . . . . 0.0 109.816 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.56 -44.18 99.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 108.831 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -61.09 -45.89 92.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.873 -1.142 . . . . 0.0 110.898 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.79 -39.15 87.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.21 -0.931 . . . . 0.0 111.812 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.31 -11.5 54.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.67 -1.268 . . . . 0.0 111.031 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -76.01 90.58 3.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.725 -1.234 . . . . 0.0 109.861 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.95 -46.07 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.8 p30 -76.28 -23.93 54.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.065 -1.022 . . . . 0.0 109.06 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.543 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.91 22.07 50.69 Favored Glycine 0 N--CA 1.481 1.662 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.191 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.465 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 42.7 p30 -80.08 -6.78 58.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -1.138 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 80.88 -1.34 84.47 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -138.66 159.68 41.51 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.195 -1.179 . . . . 0.0 108.293 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -98.65 123.69 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.955 -1.091 . . . . 0.0 108.563 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.26 -176.16 2.98 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.976 0.893 . . . . 0.0 110.599 -177.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.0 m-85 -60.98 -40.28 92.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -50.46 73.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -67.97 -42.08 81.42 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.33 -48.44 79.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.583 -0.698 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.17 -43.19 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.154 -1.591 . . . . 0.0 108.382 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -70.38 -36.77 74.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 112.173 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 ttt -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.843 -1.161 . . . . 0.0 110.521 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -7.21 11.54 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.119 -0.988 . . . . 0.0 112.603 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.45 54.74 1.63 Allowed 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.339 -1.476 . . . . 0.0 109.931 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.35 135.82 47.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.438 -0.789 . . . . 0.0 109.273 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.988 -1.005 . . . . 0.0 109.354 -179.658 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.509 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.214 -0.795 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 98.1 mtp -131.07 21.37 4.89 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 27.6 p-10 -56.56 -51.6 67.97 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.195 -0.941 . . . . 0.0 111.072 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.405 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 7.5 p -72.97 -27.46 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 120.817 -1.177 . . . . 0.0 111.296 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -52.39 -49.12 65.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 111.049 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 19.6 ptp -87.01 -38.35 16.66 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.682 -1.261 . . . . 0.0 109.836 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.521 ' NZ ' ' OG ' ' A' ' 81' ' ' SER . 38.9 ttpt -63.96 -40.93 97.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.041 -1.037 . . . . 0.0 110.666 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.58 97.15 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.375 -1.393 . . . . 0.0 109.937 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -50.79 21.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.972 -1.31 . . . . 0.0 109.251 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 92.8 p -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.914 -1.116 . . . . 0.0 109.88 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 75' ' ' LYS . 55.9 tptt -63.48 -42.88 98.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.357 -0.839 . . . . 0.0 109.383 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -61.82 -21.41 64.61 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -94.09 123.34 37.4 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' B' ' 216' ' ' VAL . 47.6 tp10 -124.42 -90.59 0.56 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.435 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -60.56 -39.56 96.61 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 3.59 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.125 -1.22 . . . . 0.0 109.845 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' B' ' 213' ' ' GLU . 44.5 t -60.14 -39.74 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.161 -0.962 . . . . 0.0 111.366 -178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.02 86.81 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.569 -1.332 . . . . 0.0 110.976 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.59 90.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.625 -1.297 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -134.21 -104.51 0.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.832 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.313 0.578 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -91.69 0.45 57.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.186 -0.947 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -39.44 91.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.322 -0.861 . . . . 0.0 109.492 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 tp -129.56 147.88 51.41 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -107.99 156.52 19.14 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.727 0.775 . . . . 0.0 110.769 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -64.91 -20.13 66.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.577 -0.702 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.8 -40.2 83.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.018 -1.051 . . . . 0.0 109.697 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -64.02 -40.71 96.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.341 -0.849 . . . . 0.0 110.748 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.7 -45.25 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.562 -1.336 . . . . 0.0 109.351 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.71 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.073 -1.017 . . . . 0.0 110.188 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -62.02 -44.02 97.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.922 -1.111 . . . . 0.0 110.677 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.12 -28.88 20.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.991 -1.068 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.9 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.993 -1.067 . . . . 0.0 109.274 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.92 -46.09 90.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.397 -0.814 . . . . 0.0 109.15 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -28.51 61.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 110.12 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 84.6 t80 -59.11 -46.43 88.33 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.132 -0.98 . . . . 0.0 111.558 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.41 -36.38 75.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.95 -1.094 . . . . 0.0 111.32 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.671 -1.268 . . . . 0.0 110.406 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.94 -39.52 83.45 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.7 -1.25 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.71 81.73 8.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.759 -1.213 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.24 -24.51 67.69 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.12 -0.988 . . . . 0.0 109.757 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -28.97 70.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 10.14 83.21 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.536 -1.352 . . . . 0.0 110.206 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -90.87 3.7 53.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.215 -1.168 . . . . 0.0 109.799 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.62 8.69 87.54 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.7 p -135.33 149.71 49.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.179 -1.189 . . . . 0.0 108.845 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.76 128.96 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -104.88 157.9 16.89 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.213 0.53 . . . . 0.0 109.628 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -55.47 -34.69 64.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.282 -0.886 . . . . 0.0 109.896 -178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' A' ' 34' ' ' THR . 64.8 tttp -66.6 -41.39 88.51 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.093 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -41.61 93.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.375 -0.828 . . . . 0.0 111.446 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -54.91 10.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.059 -1.025 . . . . 0.0 109.909 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.76 99.11 Favored Glycine 0 N--CA 1.485 1.94 0 C-N-CA 119.434 -1.365 . . . . 0.0 110.283 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.9 m -59.38 -46.21 89.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.657 -1.496 . . . . 0.0 109.611 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.02 -37.99 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.684 -1.26 . . . . 0.0 109.489 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' B' ' 202' ' ' ASP . 48.8 ttp -67.61 -37.35 82.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.922 -1.112 . . . . 0.0 109.759 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.35 -35.05 73.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.056 -1.027 . . . . 0.0 109.694 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.6 m -55.81 -33.81 64.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.105 -0.997 . . . . 0.0 109.126 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.51 25.7 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.949 . . . . 0.0 108.69 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.99 41.71 98.51 Favored Glycine 0 N--CA 1.484 1.85 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.628 ' NE2' ' N ' ' B' ' 202' ' ' ASP . 51.0 mt-30 -117.1 155.28 29.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.587 -0.949 . . . . 0.0 109.15 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.13 75.38 20.35 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.527 -0.733 . . . . 0.0 109.315 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.8 162.53 26.78 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.845 2.363 . . . . 0.0 112.729 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -104.63 162.41 13.3 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.69 0.757 . . . . 0.0 109.775 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.66 -43.51 97.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.704 -0.623 . . . . 0.0 110.608 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.4 94.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.924 -1.11 . . . . 0.0 109.997 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.63 -46.25 86.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.809 -1.182 . . . . 0.0 109.918 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.54 -38.87 81.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.336 -0.853 . . . . 0.0 110.598 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.684 HE22 ' ND2' ' A' ' 53' ' ' ASN . 8.7 tm0? -61.69 -42.51 99.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.955 -1.09 . . . . 0.0 108.5 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.44 -45.23 91.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.458 -0.776 . . . . 0.0 110.442 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mtt -60.29 -52.11 66.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.918 -1.114 . . . . 0.0 110.697 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -35.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 109.907 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.684 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.6 m-20 -59.1 -27.07 65.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.071 -1.018 . . . . 0.0 110.442 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.81 -21.17 66.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.822 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 p -135.0 29.0 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 121.206 -0.934 . . . . 0.0 111.871 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.8 t0 -91.41 104.3 16.83 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.61 -1.306 . . . . 0.0 108.95 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.23 -23.47 18.52 Favored 'General case' 0 N--CA 1.504 2.236 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.324 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 20.3 p30 -93.44 -7.74 43.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 109.147 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.88 26.08 68.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.0 p30 -96.25 1.33 52.0 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.404 -1.056 . . . . 0.0 110.215 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.2 22.51 74.48 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.479 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -140.42 160.98 38.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.289 -1.124 . . . . 0.0 107.968 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -106.1 122.52 59.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.778 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -93.19 156.73 16.66 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.857 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 30.4 t80 -46.95 -52.18 34.89 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 111.617 -178.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -59.15 -35.66 97.32 Favored 'Trans proline' 0 N--CA 1.49 1.267 0 CA-C-N 120.921 1.365 . . . . 0.0 111.541 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.21 -44.23 92.56 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 31.2 t80 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.689 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -59.06 -39.77 83.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.988 0.899 . . . . 0.0 109.477 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -63.57 -42.88 98.28 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.06 -41.29 97.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.96 -42.39 94.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.505 -0.747 . . . . 0.0 110.487 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.13 51.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 108.313 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -64.05 -29.29 70.44 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' HZ2' ' C ' ' B' ' 206' ' ' LYS . 60.2 mmtt -60.15 -43.27 95.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 110.393 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.9 ptp -68.99 -13.62 62.56 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.638 -1.289 . . . . 0.0 110.161 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 57.4 tptt -68.54 -38.06 80.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.895 -1.128 . . . . 0.0 110.004 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 12.6 t0 81.81 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.55 -81.51 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.614 -0.679 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 97.1 m-20 -88.78 -25.58 22.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.082 -1.011 . . . . 0.0 108.274 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.3 t -46.98 -26.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.01 -41.99 99.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.196 -0.94 . . . . 0.0 108.557 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ASP . 98.3 mt-10 -66.0 -40.32 91.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.03 -38.39 75.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.095 -1.003 . . . . 0.0 109.74 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.66 -39.86 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.526 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.891 -1.131 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.23 -37.49 83.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 0.0 109.581 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -31.93 59.6 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.7 t80 -57.23 -38.37 73.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.76 -39.67 94.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -37.83 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.944 -1.097 . . . . 0.0 109.859 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -67.52 -41.92 83.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.331 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -83.73 84.64 7.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.893 -1.13 . . . . 0.0 109.974 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.52 -38.5 89.84 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.572 -0.705 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.03 -28.92 68.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.216 -0.927 . . . . 0.0 110.65 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.9 12.3 84.72 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 34.9 p-10 -71.58 -4.79 28.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.102 -1.234 . . . . 0.0 109.047 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.42 4.02 86.29 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 32.9 m-85 -137.16 146.33 44.83 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.44 127.62 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.071 -1.018 . . . . 0.0 108.903 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.0 p -105.33 165.12 11.34 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.988 0.899 . . . . 0.0 110.537 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.32 90.78 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.892 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.45 87.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.381 -1.449 . . . . 0.0 108.78 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 88.6 mt-10 -61.46 -39.95 92.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.875 . . . . 0.0 110.136 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.87 -39.01 87.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 111.339 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.464 ' O ' ' OG1' ' A' ' 110' ' ' THR . 90.7 mtm180 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.311 -1.493 . . . . 0.0 110.244 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -65.64 -60.18 3.18 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.281 -0.887 . . . . 0.0 112.624 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.6 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.012 -1.055 . . . . 0.0 109.452 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 97.2 mtp -62.42 -37.89 87.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.04 -1.037 . . . . 0.0 110.142 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 96.0 m -65.36 -40.05 93.08 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.193 -0.942 . . . . 0.0 110.893 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.75 -22.34 66.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.097 -1.002 . . . . 0.0 111.565 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 mt -88.29 9.64 22.47 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.741 -1.224 . . . . 0.0 109.988 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.36 11.66 84.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -104.71 139.69 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.589 -0.948 . . . . 0.0 109.153 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -143.9 119.89 10.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.386 -0.821 . . . . 0.0 109.577 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.32 -177.45 3.13 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -101.12 163.33 12.33 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.28 -0.887 . . . . 0.0 108.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.61 -38.91 82.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.003 -1.061 . . . . 0.0 110.03 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.32 -39.9 94.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.052 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.2 -43.67 94.35 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.14 -36.55 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.96 -48.14 82.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.118 -0.989 . . . . 0.0 109.151 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.87 -37.52 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.179 -0.951 . . . . 0.0 109.79 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.95 -40.66 67.02 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.21 -40.68 83.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.491 -0.755 . . . . 0.0 109.11 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.18 -42.4 98.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.241 -0.912 . . . . 0.0 110.925 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -69.66 -38.87 77.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.73 -1.231 . . . . 0.0 111.269 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.69 -4.27 59.15 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.941 -1.1 . . . . 0.0 110.991 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -79.75 89.25 5.19 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.665 -1.272 . . . . 0.0 110.331 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.406 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -94.14 -45.81 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 111.414 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.8 p-10 -75.31 -26.1 58.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 108.889 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.76 20.65 63.14 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 55.6 p-10 -77.78 -7.5 56.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.383 -1.069 . . . . 0.0 109.943 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.26 -11.01 68.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.3 mp0 -131.59 166.78 20.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.327 -1.102 . . . . 0.0 108.467 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.32 125.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.606 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 -178.72 3.67 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.806 0.812 . . . . 0.0 110.595 -178.265 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.588 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.9 m-85 -59.34 -39.51 83.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -50.16 74.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.356 -0.84 . . . . 0.0 109.676 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 48.0 mt-10 -68.02 -41.8 81.62 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -62.45 -48.67 78.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.626 -0.671 . . . . 0.0 111.427 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.68 -42.64 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.895 -1.753 . . . . 0.0 107.108 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -65.21 -36.79 85.26 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.883 . . . . 0.0 111.946 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.0 ttp -58.93 -48.28 82.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.826 -1.171 . . . . 0.0 111.487 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -0.26 17.9 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.08 -1.012 . . . . 0.0 113.036 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.23 54.15 0.97 Allowed 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.423 -1.423 . . . . 0.0 109.214 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.76 144.64 33.11 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.44 -0.788 . . . . 0.0 109.525 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.091 -0.957 . . . . 0.0 109.109 -179.779 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.422 ' O ' ' CG1' ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.21 -1.01 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 62.2 mtt -62.75 -36.78 84.17 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.298 -0.876 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.628 ' N ' ' NE2' ' A' ' 41' ' ' GLN . 49.0 p30 -51.58 -25.73 7.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.807 -1.183 . . . . 0.0 109.959 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 6.6 p -64.86 -17.88 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.027 -1.045 . . . . 0.0 109.624 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.6 OUTLIER -50.92 -33.87 26.15 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.994 -1.067 . . . . 0.0 110.916 -177.316 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' MET . . . . . 0.442 ' SD ' ' C ' ' B' ' 205' ' ' MET . 3.6 ppp? -79.42 -28.4 41.73 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.476 -1.39 . . . . 0.0 109.477 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.436 ' C ' ' HZ2' ' A' ' 75' ' ' LYS . 98.7 mttt -86.62 -31.76 20.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.148 -0.97 . . . . 0.0 110.253 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -75.84 -4.39 76.65 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.076 -1.015 . . . . 0.0 110.718 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -52.1 10.13 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.015 -1.285 . . . . 0.0 110.17 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.4 m -65.45 -39.59 92.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.099 -1.001 . . . . 0.0 110.93 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -94.61 6.24 49.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.172 -0.955 . . . . 0.0 110.832 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -60.39 -37.59 81.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.667 -1.271 . . . . 0.0 109.55 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -133.51 144.22 49.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.143 -0.973 . . . . 0.0 109.558 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . 0.625 ' CG ' ' H ' ' B' ' 214' ' ' GLY . 4.7 pm0 -171.48 -99.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -0.853 . . . . 0.0 108.91 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . 0.625 ' H ' ' CG ' ' B' ' 213' ' ' GLU . . . -59.63 -38.37 93.64 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 1.8 p -52.07 -13.58 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.947 -1.325 . . . . 0.0 109.508 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . 0.448 ' H ' ' C ' ' B' ' 214' ' ' GLY . 51.7 t -61.5 -36.71 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.459 -0.776 . . . . 0.0 110.287 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.2 76.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.116 -0.99 . . . . 0.0 111.236 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' B' ' 219' ' ' ALA . . . -60.42 -40.09 89.74 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.43 -1.418 . . . . 0.0 109.328 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' B' ' 218' ' ' ALA . . . 72.3 139.34 0.05 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 109.476 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -89.28 4.39 48.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.706 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -134.39 151.26 51.09 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -110.83 138.33 47.37 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 p -108.44 161.34 15.12 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.87 -38.01 84.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.354 -0.841 . . . . 0.0 109.617 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.01 -39.14 93.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.011 . . . . 0.0 110.971 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -62.86 -42.49 99.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.692 -1.255 . . . . 0.0 110.493 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.59 -39.88 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.518 -1.364 . . . . 0.0 108.924 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.46 77.92 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.938 -1.101 . . . . 0.0 109.863 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.44 -44.13 97.65 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.843 -1.161 . . . . 0.0 110.657 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -87.42 -21.17 25.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.888 -1.132 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.25 -42.55 96.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.754 -1.216 . . . . 0.0 109.236 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.81 -43.44 98.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.024 -1.047 . . . . 0.0 109.351 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.29 83.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.22 -0.925 . . . . 0.0 109.092 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -58.13 -45.61 87.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 111.407 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.1 p -62.22 -20.56 64.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.886 -1.134 . . . . 0.0 111.546 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -40.99 97.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.531 -1.356 . . . . 0.0 109.871 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' SD ' ' B' ' 205' ' ' MET . 84.2 m-85 -69.13 -37.82 78.52 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.07 -1.019 . . . . 0.0 109.54 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.86 84.87 7.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.619 -1.301 . . . . 0.0 110.054 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.74 -39.54 94.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.266 -0.897 . . . . 0.0 111.179 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 57.6 p30 -65.43 -23.04 66.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.737 -1.227 . . . . 0.0 110.198 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.34 21.13 79.5 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -80.46 -0.91 39.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.036 -1.273 . . . . 0.0 109.378 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 4.2 90.5 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.6 p -136.07 147.49 47.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.359 -1.083 . . . . 0.0 108.468 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -98.87 130.22 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.276 -0.89 . . . . 0.0 109.004 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.1 p -105.95 157.92 17.15 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.267 0.556 . . . . 0.0 110.393 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 p -56.97 -36.16 69.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.23 -0.919 . . . . 0.0 110.308 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 34' ' ' THR . 87.7 tttt -64.86 -41.88 95.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.789 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -41.08 93.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.553 -0.717 . . . . 0.0 111.089 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -54.91 12.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.612 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.69 -40.8 98.53 Favored Glycine 0 N--CA 1.484 1.875 0 C-N-CA 119.305 -1.426 . . . . 0.0 110.184 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 85.4 m -59.07 -46.09 89.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.559 -1.554 . . . . 0.0 108.896 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.78 -37.09 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.741 -1.224 . . . . 0.0 109.21 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.5 ttp -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.652 -1.28 . . . . 0.0 109.369 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -60.44 -34.39 73.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.189 -0.945 . . . . 0.0 109.058 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 41.3 t -50.06 -35.21 24.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.258 -0.901 . . . . 0.0 108.794 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.82 23.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.246 -0.909 . . . . 0.0 108.757 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.22 42.6 98.74 Favored Glycine 0 N--CA 1.486 2.016 0 O-C-N 121.205 -0.934 . . . . 0.0 111.262 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.536 HE22 ' C ' ' B' ' 200' ' ' ACE . 91.0 mt-30 -112.92 164.57 13.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.457 -1.026 . . . . 0.0 110.114 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -138.04 73.58 45.06 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.12 162.05 37.43 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.789 2.326 . . . . 0.0 113.26 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.46 163.1 13.73 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.851 0.834 . . . . 0.0 109.761 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.98 -41.73 92.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.356 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.964 -1.085 . . . . 0.0 110.698 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE2' ' SD ' ' A' ' 51' ' ' MET . 15.1 tm-20 -66.76 -46.12 76.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.547 -1.346 . . . . 0.0 110.308 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.04 -39.76 90.42 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.109 -0.995 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.63 -45.87 90.84 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.929 -1.107 . . . . 0.0 108.687 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.72 -40.48 95.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.693 -0.629 . . . . 0.0 110.663 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 202' ' ' ASP . 14.2 mtt -58.28 -55.5 34.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.059 -1.026 . . . . 0.0 110.314 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.88 -37.3 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 109.924 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -54.08 -27.95 35.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.3 -0.875 . . . . 0.0 110.467 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.51 -20.69 66.09 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 111.548 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.4 p -134.94 29.92 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 121.0 -1.063 . . . . 0.0 111.807 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -88.56 98.67 11.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.553 -1.342 . . . . 0.0 109.244 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.12 -28.93 14.83 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.322 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -83.62 -13.99 53.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.908 -1.12 . . . . 0.0 108.827 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.2 23.04 71.33 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -94.4 1.37 55.83 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.435 -1.038 . . . . 0.0 110.215 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.48 16.52 75.73 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 121.084 -1.01 . . . . 0.0 110.674 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.3 p -140.41 161.78 36.89 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.197 -1.178 . . . . 0.0 107.943 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -101.11 121.72 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.406 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.7 m-20 -93.15 154.2 18.2 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -43.46 -52.48 13.36 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.486 -0.759 . . . . 0.0 111.962 -178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.45 -34.77 97.23 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 CA-C-N 120.991 1.39 . . . . 0.0 111.553 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.56 -44.2 94.82 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.55 -46.36 90.27 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.171 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.94 -38.57 82.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.872 . . . . 0.0 110.012 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -62.61 -43.49 98.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.703 -0.623 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.3 ttp -62.35 -40.74 97.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.433 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.29 -40.84 91.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 0.0 110.821 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.26 -24.28 51.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.908 -1.12 . . . . 0.0 109.14 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ASP . 14.6 tpp85 -59.16 -39.66 83.17 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.571 -0.705 . . . . 0.0 110.303 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ASP . 57.1 mtmt -62.78 -45.25 93.56 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.603 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 mmm -69.73 -40.3 76.29 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.558 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.12 -39.21 25.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.983 -1.073 . . . . 0.0 109.803 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 79' ' ' THR . 39.2 t0 -138.99 -173.94 3.71 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.987 0.899 . . . . 0.0 109.599 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.48 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.9 OUTLIER -131.1 55.36 1.85 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.729 0.776 . . . . 0.0 109.718 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.47 -11.06 60.68 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -76.86 7.48 4.73 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 -40.6 78.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.377 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 -43.73 92.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.254 -0.904 . . . . 0.0 109.105 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 59.0 mp0 -70.52 -29.46 65.96 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.285 -0.884 . . . . 0.0 109.674 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mt -60.7 -44.83 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.01 -36.86 84.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.936 -1.102 . . . . 0.0 109.985 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' SD ' ' B' ' 201' ' ' MET . 88.1 tt0 -61.64 -39.39 91.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.78 -31.24 58.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.112 -0.993 . . . . 0.0 109.463 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.2 t80 -57.51 -41.04 80.02 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.213 -0.93 . . . . 0.0 109.17 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -63.53 -39.87 95.56 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.51 -0.744 . . . . 0.0 110.642 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.93 -40.01 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.123 -0.986 . . . . 0.0 109.777 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -69.55 -40.59 76.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.194 -0.941 . . . . 0.0 109.694 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -81.82 84.35 6.9 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.954 -1.091 . . . . 0.0 110.345 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.61 -41.56 92.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.5 -0.75 . . . . 0.0 111.52 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.0 p30 -68.24 -26.44 65.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.887 -1.133 . . . . 0.0 111.148 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.49 14.87 81.61 Favored Glycine 0 N--CA 1.488 2.139 0 C-N-CA 119.471 -1.347 . . . . 0.0 109.786 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.493 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.3 p-10 -71.2 -4.25 24.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.011 -1.288 . . . . 0.0 108.79 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.98 1.81 86.57 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.8 m-85 -135.74 148.08 48.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.6 128.99 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.82 -1.175 . . . . 0.0 109.175 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.0 p -106.85 165.23 11.48 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 122.015 0.912 . . . . 0.0 110.691 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.52 91.57 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.236 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.08 85.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.281 -1.512 . . . . 0.0 108.539 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.46 -40.98 96.47 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.24 -0.912 . . . . 0.0 109.822 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -40.8 92.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.503 -0.748 . . . . 0.0 110.573 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.9 ttp180 -61.83 -38.63 88.88 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 120.691 -1.256 . . . . 0.0 110.255 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.66 -61.45 2.19 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.299 -0.876 . . . . 0.0 112.578 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.99 -40.51 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.11 -0.994 . . . . 0.0 110.041 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 113' ' ' GLY . 98.9 mtp -62.73 -39.41 93.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.843 -1.161 . . . . 0.0 110.402 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 86.0 m -63.84 -48.58 76.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.749 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.71 -37.88 73.57 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.109 -0.994 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.23 -3.58 31.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.462 -0.774 . . . . 0.0 110.943 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -145.64 -96.08 0.19 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.8 152.41 2.0 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.553 -1.557 . . . . 0.0 108.467 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.08 133.05 49.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.815 -1.178 . . . . 0.0 109.792 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.09 -170.9 1.72 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.3 p -101.28 160.24 14.58 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.075 -1.016 . . . . 0.0 108.969 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.1 -39.68 83.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.0 110.007 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.82 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.974 -1.079 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.13 -44.15 97.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.1 -29.65 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.08 -43.04 95.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.085 -1.009 . . . . 0.0 109.38 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.48 -38.5 90.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.163 -0.961 . . . . 0.0 109.911 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtt -56.15 -41.89 76.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 109.156 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.93 -43.67 89.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 109.671 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -60.06 -46.42 89.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.954 -1.091 . . . . 0.0 110.997 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.61 -38.78 90.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.973 -1.079 . . . . 0.0 111.232 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.23 -0.97 57.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 111.236 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -80.53 84.05 6.2 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.264 . . . . 0.0 110.431 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.69 -45.34 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.937 . . . . 0.0 111.164 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.0 p-10 -76.25 -25.96 55.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.127 -0.983 . . . . 0.0 109.195 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.98 21.27 63.48 Favored Glycine 0 N--CA 1.483 1.775 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.4 p-10 -79.34 -7.7 58.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.356 -1.085 . . . . 0.0 110.295 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.11 -9.84 73.21 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.2 mp0 -131.72 164.17 26.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.351 -1.088 . . . . 0.0 108.548 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.9 t -100.6 124.18 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.43 -177.48 3.33 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.937 0.875 . . . . 0.0 110.909 -177.79 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.8 m-85 -60.07 -39.99 87.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.67 -50.25 74.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.784 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -68.71 -41.63 78.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.278 -0.889 . . . . 0.0 109.545 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.6 -47.5 83.5 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.75 -0.594 . . . . 0.0 110.8 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.76 -43.68 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 O-C-N 120.043 -1.661 . . . . 0.0 108.451 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -64.86 -38.32 90.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.442 -0.786 . . . . 0.0 110.672 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.3 ttp -61.19 -38.76 87.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.138 -0.976 . . . . 0.0 110.491 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.1 mmm -82.67 -15.36 52.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.145 -0.972 . . . . 0.0 112.194 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 56.74 3.27 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.546 -1.346 . . . . 0.0 108.921 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.44 37.81 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.335 -0.853 . . . . 0.0 109.751 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.254 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ACE . . . . . 0.536 ' C ' HE22 ' A' ' 41' ' ' GLN . . . . . . . . 0 C--O 1.216 -0.701 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' MET . . . . . 0.562 ' O ' ' N ' ' B' ' 204' ' ' PHE . 26.7 mtt -118.87 -157.73 0.7 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 51' ' ' MET . 66.8 m-20 -48.01 -27.5 2.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.044 -1.66 . . . . 0.0 107.879 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.81 -26.32 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.603 -0.686 . . . . 0.0 109.81 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . 0.562 ' N ' ' O ' ' B' ' 201' ' ' MET . 0.2 OUTLIER -50.0 -31.59 13.11 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 121.261 -0.899 . . . . 0.0 110.833 -177.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 205' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 19' ' ' PHE . 3.7 ptp -101.87 -3.48 27.86 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.003 -1.061 . . . . 0.0 109.25 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -97.79 -66.73 0.88 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.416 -0.802 . . . . 0.0 111.119 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.51 97.39 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.22 -47.44 84.43 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.322 -1.105 . . . . 0.0 109.82 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.1 m -61.77 -42.58 99.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.985 . . . . 0.0 109.428 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.18 -43.74 97.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -87.58 -2.29 58.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.296 -0.878 . . . . 0.0 110.289 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.94 -44.73 94.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.002 -1.061 . . . . 0.0 109.354 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -68.46 -40.55 81.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.986 -1.072 . . . . 0.0 109.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.78 97.33 Favored Glycine 0 N--CA 1.496 2.673 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.412 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -22.53 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.692 -1.475 . . . . 0.0 110.544 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.05 -37.8 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.07 -1.019 . . . . 0.0 110.395 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -52.47 -24.35 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.076 -1.015 . . . . 0.0 110.68 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.15 88.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.585 -1.322 . . . . 0.0 109.353 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -171.46 146.17 2.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.244 -0.91 . . . . 0.0 109.439 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.2 tp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -108.8 156.88 19.13 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.657 0.742 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -65.63 -39.45 91.48 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.688 -0.633 . . . . 0.0 110.406 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.69 -39.08 93.43 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.71 -39.39 91.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.844 -1.16 . . . . 0.0 110.043 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.45 -39.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.635 -1.291 . . . . 0.0 109.231 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -34.68 76.75 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.896 -1.128 . . . . 0.0 109.847 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -42.37 98.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.894 -1.129 . . . . 0.0 110.477 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.58 -19.26 29.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.868 -1.145 . . . . 0.0 109.546 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.96 -42.84 97.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.802 -1.186 . . . . 0.0 109.199 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.27 -45.97 91.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.974 -1.079 . . . . 0.0 109.007 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.85 81.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.265 -0.897 . . . . 0.0 109.383 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.12 -45.67 83.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.351 -0.843 . . . . 0.0 111.241 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.8 p -62.11 -22.19 65.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.896 -1.128 . . . . 0.0 111.687 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -42.58 86.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.441 -1.412 . . . . 0.0 110.168 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -69.42 -37.56 77.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.001 -1.062 . . . . 0.0 109.45 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.7 t0 -83.52 82.78 8.15 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.605 -1.309 . . . . 0.0 109.749 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.92 -23.97 67.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.142 -0.974 . . . . 0.0 110.015 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.33 -30.23 71.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 110.457 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 5.58 87.31 Favored Glycine 0 N--CA 1.496 2.692 0 O-C-N 120.311 -1.493 . . . . 0.0 110.179 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -88.66 2.67 52.81 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.342 -1.093 . . . . 0.0 110.027 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 10.35 85.93 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.781 -1.199 . . . . 0.0 110.272 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.2 149.2 48.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.19 -1.183 . . . . 0.0 108.955 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.6 130.43 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -106.87 158.03 17.31 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -56.17 -35.49 67.27 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.109 -0.994 . . . . 0.0 110.064 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.71 -42.1 95.52 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.299 -0.875 . . . . 0.0 109.725 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.96 -42.9 89.33 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.363 -0.836 . . . . 0.0 111.404 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -51.88 22.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.025 . . . . 0.0 109.9 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -39.55 96.34 Favored Glycine 0 N--CA 1.488 2.146 0 C-N-CA 119.46 -1.352 . . . . 0.0 109.859 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m -60.4 -46.53 89.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.994 -1.298 . . . . 0.0 109.396 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.08 -36.11 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.72 -1.237 . . . . 0.0 108.554 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.04 -32.58 72.19 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.927 -1.108 . . . . 0.0 108.87 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -58.74 -35.81 73.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.571 -0.706 . . . . 0.0 109.468 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.9 m -58.3 -34.19 70.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 109.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.56 16.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.259 -0.901 . . . . 0.0 108.874 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.08 39.8 98.45 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -118.5 161.46 19.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.616 -0.932 . . . . 0.0 110.118 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -141.42 68.75 26.34 Favored Pre-proline 0 C--N 1.297 -1.693 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.4 164.76 32.04 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.859 2.373 . . . . 0.0 112.802 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -107.46 163.52 12.98 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.874 0.845 . . . . 0.0 109.951 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.497 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.55 94.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.982 -1.073 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -44.24 94.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.985 -1.072 . . . . 0.0 110.254 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.36 -32.42 71.47 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.323 -0.861 . . . . 0.0 110.043 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.75 -48.51 80.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.019 -1.051 . . . . 0.0 110.07 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.2 -43.42 95.96 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -0.96 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.34 -52.07 60.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.963 -1.086 . . . . 0.0 110.69 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -38.3 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.908 -1.12 . . . . 0.0 110.362 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -58.9 -37.86 77.57 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -60.49 -37.69 81.91 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.04 -1.038 . . . . 0.0 111.861 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.17 7.59 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.988 -1.07 . . . . 0.0 111.048 -179.053 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.71 107.58 14.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.928 -1.108 . . . . 0.0 109.372 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.93 -25.54 16.5 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.286 -0.884 . . . . 0.0 110.996 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 35.1 p30 -90.87 -5.84 55.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.62 26.93 67.33 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.9 p-10 -94.0 0.2 55.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.213 -1.169 . . . . 0.0 109.834 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.28 17.64 77.63 Favored Glycine 0 N--CA 1.495 2.571 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.766 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -141.23 160.75 39.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.113 -1.228 . . . . 0.0 107.976 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -101.58 121.07 52.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.443 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 60.7 m-20 -91.83 155.85 17.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.333 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -44.99 -51.58 22.52 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.554 -0.717 . . . . 0.0 112.142 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.85 -32.93 85.65 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.204 1.466 . . . . 0.0 111.628 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.26 -43.11 95.86 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.05 -43.3 99.1 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.54 -39.45 84.02 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.771 0.796 . . . . 0.0 109.567 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.5 m -62.25 -42.8 99.65 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.2 ttp -62.82 -39.59 94.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 0.0 109.69 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.17 -43.35 95.89 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.777 -1.202 . . . . 0.0 110.232 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.96 44.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.872 -1.143 . . . . 0.0 108.715 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -54.46 -20.83 8.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.568 -0.707 . . . . 0.0 109.636 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.55 -42.27 82.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.573 ' SD ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -61.04 -39.74 90.95 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.17 -16.9 60.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.124 -0.985 . . . . 0.0 109.538 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 53.33 45.65 28.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 -57.73 3.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.932 -1.105 . . . . 0.0 109.51 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -85.72 -13.39 48.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.127 -0.983 . . . . 0.0 108.818 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.6 m -49.15 -37.58 22.66 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -41.43 94.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.029 -1.044 . . . . 0.0 109.015 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.33 -42.4 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -67.81 -40.27 83.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.169 -0.957 . . . . 0.0 109.884 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.28 -46.29 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.507 -0.877 . . . . 0.0 108.682 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.55 -39.31 77.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.553 -1.342 . . . . 0.0 110.359 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -68.46 -39.17 81.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.861 -1.149 . . . . 0.0 110.672 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.76 70.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.334 -0.854 . . . . 0.0 110.697 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.4 t80 -58.97 -38.05 78.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 108.761 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -63.47 -37.54 87.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.658 -0.651 . . . . 0.0 109.86 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.22 -41.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.997 -1.065 . . . . 0.0 109.352 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -40.0 82.39 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.09 -1.006 . . . . 0.0 108.856 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -82.45 83.0 7.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.078 -1.013 . . . . 0.0 110.005 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 63.8 tttm -66.3 -39.85 89.6 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.556 -0.715 . . . . 0.0 111.321 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -67.66 -29.12 68.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.971 -1.081 . . . . 0.0 110.824 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.31 11.55 84.12 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 26.9 p-10 -70.6 -8.81 54.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.042 -1.269 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.22 -4.73 82.93 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 68.4 m-85 -133.11 139.96 47.39 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.7 mt -95.51 120.65 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.745 -1.222 . . . . 0.0 109.728 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -91.37 165.88 13.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.217 -0.927 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.53 97.44 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.689 -0.632 . . . . 0.0 112.057 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.7 88.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.517 -1.364 . . . . 0.0 109.678 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -62.7 -41.51 99.16 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.582 -0.699 . . . . 0.0 111.968 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.558 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.8 tt -64.14 -36.38 83.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -66.72 -34.27 77.47 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.724 -1.235 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -58.27 -57.45 12.81 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.204 -0.935 . . . . 0.0 113.029 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.16 -39.37 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.978 -1.076 . . . . 0.0 108.742 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.558 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.9 mtp -62.75 -38.61 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.925 -1.11 . . . . 0.0 110.331 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -66.73 -40.58 88.41 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.253 -0.905 . . . . 0.0 110.937 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.51 -21.42 65.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.32 12.45 34.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.0 109.641 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.76 20.86 79.91 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.53 143.49 40.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.585 -0.95 . . . . 0.0 109.589 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -160.56 134.09 6.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.829 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.99 -170.65 1.91 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 p -98.25 160.59 14.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.047 -1.033 . . . . 0.0 109.114 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.42 -40.48 86.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 110.112 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.46 -41.6 94.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 108.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -63.28 -44.24 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 109.863 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.02 -37.57 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.49 -47.18 85.09 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.105 -0.997 . . . . 0.0 109.978 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 110.301 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.0 ttt -59.59 -43.1 93.77 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 109.445 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.13 -40.57 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.924 . . . . 0.0 108.646 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.31 -46.23 90.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 110.378 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -66.26 -42.33 88.66 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.924 -1.11 . . . . 0.0 111.475 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.83 -16.38 59.45 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.963 -1.085 . . . . 0.0 110.538 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -70.42 93.49 0.88 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.959 -1.088 . . . . 0.0 109.595 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.19 -46.42 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.632 -0.667 . . . . 0.0 111.475 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.3 p-10 -75.05 -25.8 58.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.149 -0.969 . . . . 0.0 108.69 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.81 19.87 62.54 Favored Glycine 0 N--CA 1.479 1.547 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 57.0 p-10 -77.09 -9.3 58.64 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.331 -1.099 . . . . 0.0 109.84 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.47 -11.2 68.84 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.1 mp0 -131.26 160.67 34.22 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.346 -1.09 . . . . 0.0 108.381 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.29 124.9 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.597 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 178.45 4.48 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.939 0.876 . . . . 0.0 110.307 -178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.5 m-85 -59.66 -38.58 81.83 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.38 -50.25 74.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.51 -41.06 85.05 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.136 -0.978 . . . . 0.0 109.265 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.727 -0.608 . . . . 0.0 110.604 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.52 -43.09 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.038 -1.664 . . . . 0.0 108.29 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -64.45 -37.99 89.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.474 -0.766 . . . . 0.0 110.549 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.03 -1.044 . . . . 0.0 109.963 -179.351 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.9 tp . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -108.09 156.62 19.07 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.605 0.717 . . . . 0.0 110.621 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -65.87 -40.38 91.57 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.614 -0.679 . . . . 0.0 110.2 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -63.0 -38.54 91.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.156 -0.965 . . . . 0.0 110.185 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -60.47 -40.36 90.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 0.0 109.683 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.27 -39.09 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.863 -1.148 . . . . 0.0 109.744 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.5 74.92 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.824 -1.172 . . . . 0.0 109.821 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.09 -42.18 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.794 -1.191 . . . . 0.0 110.248 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -86.82 -17.94 32.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.954 -1.091 . . . . 0.0 109.642 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.19 -43.36 95.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.483 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.81 -43.06 98.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.223 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.05 79.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.883 . . . . 0.0 109.299 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.89 -44.83 82.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.334 -0.854 . . . . 0.0 111.318 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.09 -37.42 82.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.025 -1.047 . . . . 0.0 111.66 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -42.02 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.685 -1.259 . . . . 0.0 110.748 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -69.96 -36.96 75.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.83 -1.169 . . . . 0.0 109.561 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 26' ' ' THR . 60.8 t0 -83.69 82.94 8.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.694 -1.254 . . . . 0.0 109.278 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.28 -24.48 67.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.172 -0.955 . . . . 0.0 110.109 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.43 -30.41 71.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.48 5.53 89.23 Favored Glycine 0 N--CA 1.496 2.663 0 O-C-N 120.282 -1.511 . . . . 0.0 109.942 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -88.92 4.29 48.47 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.372 -1.075 . . . . 0.0 110.01 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.38 84.63 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.7 p -136.89 150.13 48.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -1.163 . . . . 0.0 109.244 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -103.89 131.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.6 p -111.29 159.92 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.244 0.545 . . . . 0.0 109.727 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.15 -33.23 62.76 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.345 -0.847 . . . . 0.0 110.502 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.52 -39.17 74.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 110.124 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.07 -42.11 85.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.027 -1.045 . . . . 0.0 111.056 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -56.44 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 0.0 110.659 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.76 -40.44 98.13 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.097 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -60.03 -46.58 89.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.975 -1.309 . . . . 0.0 109.418 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.56 -38.96 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.823 -1.173 . . . . 0.0 109.202 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.91 -28.82 69.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.764 -1.21 . . . . 0.0 108.84 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.08 -35.51 75.35 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.436 -0.79 . . . . 0.0 109.455 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -57.43 -35.0 69.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 0.0 108.802 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.54 20.68 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.275 -0.891 . . . . 0.0 108.786 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.2 41.8 91.75 Favored Glycine 0 N--CA 1.485 1.954 0 O-C-N 121.304 -0.872 . . . . 0.0 111.104 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -113.8 151.88 31.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.41 -1.053 . . . . 0.0 109.488 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -142.04 65.81 19.74 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.84 165.05 27.08 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.985 2.456 . . . . 0.0 112.406 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -104.08 163.83 12.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.631 0.729 . . . . 0.0 109.471 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.08 -41.94 97.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.371 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.27 93.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.004 -1.06 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.97 -43.99 94.09 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.024 -1.047 . . . . 0.0 110.402 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.19 -24.41 63.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.148 -0.97 . . . . 0.0 109.872 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -59.52 -47.7 84.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.955 -1.091 . . . . 0.0 109.389 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.39 -39.95 92.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.217 -0.927 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 ttt -60.03 -53.71 54.64 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.201 -0.937 . . . . 0.0 110.65 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.83 -36.16 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.146 -0.971 . . . . 0.0 110.584 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -58.08 -36.75 73.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.54 -0.725 . . . . 0.0 110.672 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.04 -17.26 16.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.039 -1.038 . . . . 0.0 110.888 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -135.17 24.58 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 121.113 -0.992 . . . . 0.0 111.965 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.46 100.12 12.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.395 -1.441 . . . . 0.0 108.936 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.57 -17.27 22.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.184 -0.947 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -90.28 -14.66 32.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.054 -1.029 . . . . 0.0 108.483 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.03 18.99 69.52 Favored Glycine 0 N--CA 1.483 1.78 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.12 2.05 55.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.584 -0.951 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.79 74.92 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.1 p -142.3 160.5 40.12 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.225 -1.162 . . . . 0.0 108.203 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.86 120.09 48.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.228 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -89.07 154.05 20.49 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.399 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -44.73 -54.18 13.5 Favored Pre-proline 0 C--N 1.3 -1.584 0 O-C-N 121.083 -1.011 . . . . 0.0 112.137 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.69 -32.93 97.9 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 CA-C-N 120.923 1.365 . . . . 0.0 111.509 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -64.22 -42.95 96.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.628 -1.295 . . . . 0.0 107.649 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.67 -44.72 96.41 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.467 0.651 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.97 -39.9 79.29 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.695 0.76 . . . . 0.0 109.993 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.1 m -63.81 -43.34 96.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.8 -0.563 . . . . 0.0 109.8 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 ttp -64.14 -40.23 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.573 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.92 -42.14 93.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.005 -1.06 . . . . 0.0 110.356 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.87 -24.12 48.62 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.962 -1.086 . . . . 0.0 109.049 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.29 -18.61 11.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.81 . . . . 0.0 109.907 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.51 -43.19 84.07 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.36 90.25 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -69.51 -22.75 63.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.04 -1.037 . . . . 0.0 109.228 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 53.94 46.35 25.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.394 -0.816 . . . . 0.0 110.303 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -63.43 1.34 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.04 -1.038 . . . . 0.0 109.495 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 97.8 m-20 -88.15 -12.22 44.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.045 -1.034 . . . . 0.0 108.672 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -48.21 -33.94 9.35 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.147 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.12 -41.94 98.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.899 -1.125 . . . . 0.0 108.479 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.03 -45.57 84.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.537 -0.727 . . . . 0.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 6.5 mp0 -67.44 -36.95 82.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.351 -0.843 . . . . 0.0 110.473 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.45 -44.21 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.259 -0.901 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.64 -38.25 83.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.664 -1.272 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.64 -38.3 90.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 0.0 109.85 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -29.77 34.74 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.162 -0.961 . . . . 0.0 109.265 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.7 t80 -57.85 -38.93 76.55 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.33 -40.7 98.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.548 -0.72 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -74.49 -41.42 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.093 -1.004 . . . . 0.0 109.256 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.57 -40.11 73.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.164 -0.96 . . . . 0.0 109.287 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -79.94 81.52 6.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.462 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.544 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -66.6 -42.57 86.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.703 . . . . 0.0 111.315 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -68.17 -27.03 66.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.984 -1.072 . . . . 0.0 110.822 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.01 14.05 80.56 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.015 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.543 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 37.0 p-10 -69.65 -7.28 37.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.945 -1.327 . . . . 0.0 108.863 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.99 82.89 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 64.2 m-85 -133.24 142.21 48.43 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' OE1' ' A' ' 104' ' ' GLU . 80.0 mt -95.17 120.88 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.44 -1.413 . . . . 0.0 109.598 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -94.08 165.88 12.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.27 97.1 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.702 -0.623 . . . . 0.0 111.934 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.08 89.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.521 -1.362 . . . . 0.0 109.652 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.5 tt0 -63.13 -42.08 99.44 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.585 -0.697 . . . . 0.0 111.965 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.587 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.6 tt -62.82 -35.5 80.12 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 110.937 -177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.28 -37.95 84.26 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -56.17 -56.52 19.87 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.205 -0.934 . . . . 0.0 112.717 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.61 -40.28 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.079 -1.013 . . . . 0.0 108.557 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.5 mtp -63.17 -38.96 93.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.843 -1.161 . . . . 0.0 109.832 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -66.96 -40.38 87.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.453 -0.779 . . . . 0.0 110.359 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -62.72 -22.55 66.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.203 -0.936 . . . . 0.0 110.548 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.3 mt -97.88 13.58 30.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -0.942 . . . . 0.0 109.928 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.51 18.55 79.95 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -109.19 142.24 40.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.599 -0.942 . . . . 0.0 109.41 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -157.8 131.58 7.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.887 . . . . 0.0 109.603 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.38 -171.07 2.01 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -99.04 161.74 13.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.081 -1.012 . . . . 0.0 109.093 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.11 -41.15 87.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -0.999 . . . . 0.0 109.984 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.41 -42.01 95.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.368 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.73 -43.46 98.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.538 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.22 -34.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.8 -43.83 94.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.106 -0.996 . . . . 0.0 109.518 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.45 -38.04 89.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.13 -0.982 . . . . 0.0 110.199 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.0 mtt -54.77 -42.16 71.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.118 -0.989 . . . . 0.0 109.625 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.88 -42.05 93.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -59.58 -46.92 87.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.868 -1.145 . . . . 0.0 110.637 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 111.622 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -0.77 57.71 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.81 -1.181 . . . . 0.0 111.204 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.03 84.31 6.51 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.697 -1.252 . . . . 0.0 110.05 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -45.73 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 111.163 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.0 p30 -76.19 -25.89 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.002 -1.061 . . . . 0.0 109.145 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.571 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.0 21.23 65.99 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 57.1 p-10 -78.88 -7.64 58.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 110.075 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.25 -11.3 68.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.6 mp0 -130.92 161.85 30.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.212 -1.17 . . . . 0.0 108.42 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.31 125.18 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.603 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.88 -178.65 3.64 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.898 0.856 . . . . 0.0 110.9 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.9 m-85 -59.43 -39.82 84.73 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.39 -50.28 74.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.412 -0.805 . . . . 0.0 109.835 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 75.7 mt-10 -67.72 -42.36 82.05 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.554 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.44 -47.56 83.5 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.756 -0.59 . . . . 0.0 111.006 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.94 -43.36 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 119.97 -1.706 . . . . 0.0 108.575 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.12 -36.92 85.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 110.762 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 110.219 -178.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 9' ' ' ILE . 1.7 tp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -109.17 155.86 20.54 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.697 0.761 . . . . 0.0 110.874 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.13 -38.26 85.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.795 -0.566 . . . . 0.0 109.763 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.65 -41.6 99.14 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.16 -0.962 . . . . 0.0 110.5 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.84 -39.85 94.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.072 -1.018 . . . . 0.0 110.543 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.476 HD11 HD23 ' A' ' 4' ' ' LEU . 70.5 mt -59.98 -39.91 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.443 -1.411 . . . . 0.0 109.376 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.26 75.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.878 -1.139 . . . . 0.0 109.867 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.89 -41.55 96.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 110.232 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -85.67 -19.15 31.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.927 -1.108 . . . . 0.0 109.202 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.65 -41.84 95.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.838 -1.164 . . . . 0.0 109.236 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.97 -43.14 99.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.916 -1.115 . . . . 0.0 109.092 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.15 80.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.195 -0.941 . . . . 0.0 109.167 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.28 -44.92 84.45 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.736 . . . . 0.0 111.378 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -60.93 -37.17 81.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.039 -1.038 . . . . 0.0 112.005 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -42.98 69.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.296 . . . . 0.0 110.656 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -67.25 -37.85 84.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.787 -1.195 . . . . 0.0 109.165 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 26' ' ' THR . 33.2 t70 -85.73 86.22 7.37 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.469 -1.394 . . . . 0.0 110.009 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.03 -38.28 88.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.483 -0.761 . . . . 0.0 111.369 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.2 p30 -64.33 -24.01 67.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.711 -1.243 . . . . 0.0 110.427 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.74 18.37 78.74 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD2' ' OD2' ' A' ' 22' ' ' ASP . 58.5 p-10 -80.94 -0.56 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.122 -1.223 . . . . 0.0 109.474 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.75 90.22 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.4 p -134.9 146.31 49.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.041 . . . . 0.0 108.444 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.6 mt -99.27 132.25 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 109.347 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -109.34 158.66 17.69 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.379 0.609 . . . . 0.0 110.485 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 p -57.76 -35.53 70.88 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.404 -0.81 . . . . 0.0 110.685 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.16 -39.61 86.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.036 -1.04 . . . . 0.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 98.1 mt-10 -66.23 -40.97 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.367 -0.833 . . . . 0.0 111.003 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.63 -53.35 16.2 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.267 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.61 99.18 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.542 -1.313 . . . . 0.0 109.891 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -59.98 -46.61 88.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -1.226 . . . . 0.0 109.131 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.6 -38.03 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.784 -1.197 . . . . 0.0 108.974 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.6 ttp -66.27 -29.33 69.54 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.753 -1.217 . . . . 0.0 108.651 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.12 -37.99 81.7 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.807 . . . . 0.0 109.625 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.9 m -57.66 -32.41 67.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.189 -0.945 . . . . 0.0 108.851 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -68.45 19.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.81 38.39 95.51 Favored Glycine 0 N--CA 1.485 1.935 0 O-C-N 121.05 -1.032 . . . . 0.0 111.002 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -111.16 154.87 23.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.467 -1.02 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -138.51 69.74 45.84 Favored Pre-proline 0 C--N 1.296 -1.734 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.95 163.41 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.899 2.4 . . . . 0.0 113.084 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -106.8 164.04 12.44 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.748 0.785 . . . . 0.0 109.151 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.83 95.17 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.345 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.8 95.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.915 -1.116 . . . . 0.0 110.346 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.08 -45.83 86.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.982 -1.074 . . . . 0.0 110.308 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.36 -34.29 76.99 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.378 -0.826 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -58.55 -47.7 83.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.004 . . . . 0.0 109.328 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.55 -39.54 93.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 110.355 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.4 mtt -59.0 -51.22 71.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.852 -1.155 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.51 -35.98 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.071 -1.018 . . . . 0.0 111.006 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -55.91 -32.99 64.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.817 . . . . 0.0 110.313 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -62.37 -20.07 64.04 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 111.805 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -133.68 28.83 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 O-C-N 120.939 -1.101 . . . . 0.0 111.557 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -92.14 103.07 15.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.797 -1.189 . . . . 0.0 108.671 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 -27.78 15.86 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.028 -1.045 . . . . 0.0 110.577 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p30 -85.65 -13.02 49.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.842 -1.161 . . . . 0.0 109.033 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.72 22.95 72.18 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -93.81 1.52 56.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.378 -1.072 . . . . 0.0 110.078 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 19.32 76.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.438 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.0 p -140.55 162.23 35.85 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.3 mt -103.93 120.91 54.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.94 153.86 19.87 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.4 t80 -45.05 -51.69 22.55 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.312 -0.868 . . . . 0.0 111.871 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.74 -33.08 96.47 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.926 1.367 . . . . 0.0 111.345 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.63 -44.14 91.45 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.602 -1.311 . . . . 0.0 107.659 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -60.95 -43.89 98.07 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.615 0.722 . . . . 0.0 110.077 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.09 -39.8 83.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.693 0.759 . . . . 0.0 109.672 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.65 -43.68 98.4 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ttp -63.21 -40.2 96.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.74 -43.77 94.08 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.912 -1.117 . . . . 0.0 110.504 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.64 -24.2 45.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.96 -1.088 . . . . 0.0 108.793 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.58 -18.25 7.18 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.465 -0.772 . . . . 0.0 109.729 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -57.39 -45.9 84.03 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 3.7 mpp? -64.0 -44.12 93.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.065 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -71.24 -37.78 71.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.077 . . . . 0.0 109.997 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 t0 57.79 56.18 4.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.482 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -67.04 0.85 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.193 -0.942 . . . . 0.0 109.779 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.74 -25.41 21.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 108.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.8 t -49.47 -30.29 7.96 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.66 -45.28 89.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 108.761 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.91 -41.11 95.47 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.529 -0.732 . . . . 0.0 109.859 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.56 -20.15 60.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.044 -1.035 . . . . 0.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -41.67 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 109.027 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.88 -38.45 91.02 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.467 -1.396 . . . . 0.0 110.242 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.92 -36.45 84.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.875 -1.141 . . . . 0.0 109.572 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.58 -31.74 62.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 109.572 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 41.5 t80 -55.28 -37.54 67.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.049 -1.032 . . . . 0.0 108.384 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -62.35 -40.8 97.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.44 -0.787 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -39.62 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -73.64 -42.24 61.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.18 82.94 7.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 109.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -65.93 -42.86 89.55 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.645 -0.66 . . . . 0.0 111.434 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -67.96 -26.68 66.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.909 -1.12 . . . . 0.0 110.877 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.49 15.12 80.55 Favored Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.548 -1.31 . . . . 0.0 109.869 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.536 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 36.1 p-10 -70.33 -8.73 52.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.298 . . . . 0.0 109.069 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.33 -7.22 81.84 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 76.0 m-85 -132.38 137.51 47.37 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.8 mt -91.18 122.24 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.301 -1.499 . . . . 0.0 109.789 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p -94.55 166.13 12.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.206 -0.934 . . . . 0.0 110.531 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.75 97.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.743 -0.598 . . . . 0.0 111.693 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.54 91.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.54 -1.35 . . . . 0.0 109.583 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.7 tt0 -63.04 -41.61 99.55 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.544 -0.723 . . . . 0.0 111.608 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.56 HD23 ' SD ' ' A' ' 109' ' ' MET . 2.7 tt -64.84 -37.85 89.02 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.981 -1.074 . . . . 0.0 111.307 -177.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.23 -37.42 87.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.835 -1.166 . . . . 0.0 110.725 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.63 -56.59 19.98 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.33 -0.856 . . . . 0.0 112.543 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.99 -39.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.241 -0.912 . . . . 0.0 109.022 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.56 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.6 mtp -62.44 -38.17 88.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.972 -1.08 . . . . 0.0 110.446 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.0 m -64.8 -40.51 95.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.247 -0.908 . . . . 0.0 110.46 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.58 -23.21 67.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 110.638 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.8 mt -94.87 9.7 38.18 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.154 -0.966 . . . . 0.0 109.773 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.92 18.5 80.16 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.27 143.17 40.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.605 -0.938 . . . . 0.0 109.47 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -157.76 130.99 7.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.0 109.684 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.39 -170.28 1.78 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.2 p -100.67 161.46 13.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.086 -1.009 . . . . 0.0 109.16 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.99 -40.71 85.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.189 -0.944 . . . . 0.0 110.087 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.18 -41.85 93.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 108.989 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.27 -37.7 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.09 -47.35 86.7 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.058 -1.026 . . . . 0.0 109.867 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.69 -38.4 89.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ttt -59.02 -43.67 91.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.969 -1.082 . . . . 0.0 109.165 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.64 -39.12 83.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 108.798 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.1 -47.33 86.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.75 -40.19 72.85 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.013 -1.054 . . . . 0.0 112.184 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 -20.81 59.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.867 -1.145 . . . . 0.0 110.643 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -68.57 97.96 0.83 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.947 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -45.56 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.572 -0.705 . . . . 0.0 111.085 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.7 p-10 -75.02 -25.13 58.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 108.749 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.5 19.78 57.79 Favored Glycine 0 N--CA 1.48 1.63 0 C-N-CA 119.515 -1.326 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -80.26 -5.18 55.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.294 -1.121 . . . . 0.0 110.064 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.76 -0.67 81.4 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -137.55 154.54 49.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.412 -1.052 . . . . 0.0 108.424 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.65 122.31 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.36 -175.38 2.76 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.833 0.825 . . . . 0.0 110.327 -177.65 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.4 m-85 -61.21 -39.77 91.46 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.85 -51.03 71.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.303 -0.873 . . . . 0.0 109.896 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 59.6 mt-10 -67.39 -41.19 85.39 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.114 -0.992 . . . . 0.0 109.343 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -62.49 -47.75 82.61 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.725 -0.609 . . . . 0.0 110.554 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.29 -42.38 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.154 -1.591 . . . . 0.0 108.248 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -69.62 -36.48 76.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 112.221 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.497 1.914 0 O-C-N 120.813 -1.179 . . . . 0.0 110.844 -177.656 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 4' ' ' LEU . 8.5 tp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.8 p -108.03 156.5 19.18 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.575 0.703 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.02 -42.17 94.65 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.625 -0.672 . . . . 0.0 110.273 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -62.69 -33.57 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.118 -0.989 . . . . 0.0 110.551 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.03 -41.21 97.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.304 -0.873 . . . . 0.0 109.409 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.99 -39.82 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.926 -1.108 . . . . 0.0 109.815 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.42 74.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.152 . . . . 0.0 109.749 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.984 -1.072 . . . . 0.0 110.24 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.9 -18.22 31.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.837 -1.164 . . . . 0.0 109.647 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -63.55 -43.54 96.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.744 -1.222 . . . . 0.0 109.323 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.62 -45.82 92.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.138 -0.976 . . . . 0.0 109.031 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.17 83.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.343 -0.848 . . . . 0.0 109.423 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.5 -45.6 84.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.334 -0.853 . . . . 0.0 111.095 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.1 p -62.84 -21.89 66.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.897 -1.127 . . . . 0.0 111.676 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -41.56 88.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.457 -1.402 . . . . 0.0 110.074 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.52 -36.56 73.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.058 -1.026 . . . . 0.0 109.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 26' ' ' THR . 56.3 t0 -82.55 83.26 7.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.657 -1.277 . . . . 0.0 109.654 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.53 -25.53 68.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.29 -0.881 . . . . 0.0 110.06 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.19 -28.62 70.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.142 -0.974 . . . . 0.0 110.461 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 6.34 86.28 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 120.374 -1.454 . . . . 0.0 110.126 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -88.94 3.81 50.18 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.285 -1.127 . . . . 0.0 109.911 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.58 86.86 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.815 -1.183 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 80.8 p -136.0 150.35 49.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -1.11 . . . . 0.0 108.967 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.84 130.71 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -108.06 157.49 18.21 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.232 0.539 . . . . 0.0 109.701 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -55.38 -35.44 65.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.035 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.81 -41.62 91.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.95 -41.61 91.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 111.551 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -55.75 7.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 0.0 110.506 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.3 96.74 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.48 -1.343 . . . . 0.0 109.965 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -46.96 88.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.121 -1.223 . . . . 0.0 110.046 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.19 -38.31 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.638 -1.289 . . . . 0.0 109.327 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.3 ttp -63.96 -34.64 78.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -55.38 -33.95 63.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.5 m -59.33 -35.89 74.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 108.88 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -66.72 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 69.03 35.6 78.99 Favored Glycine 0 N--CA 1.485 1.9 0 O-C-N 121.184 -0.947 . . . . 0.0 111.55 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -114.29 156.48 24.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -1.108 . . . . 0.0 109.747 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.0 p30 -143.07 71.9 18.42 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.738 -0.601 . . . . 0.0 109.894 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -76.53 163.39 32.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.827 2.351 . . . . 0.0 112.926 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -103.74 169.24 8.64 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.608 0.718 . . . . 0.0 109.576 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.0 -42.24 93.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.597 -0.69 . . . . 0.0 110.275 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 96.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.084 -1.01 . . . . 0.0 110.604 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.34 -45.28 88.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.595 -1.315 . . . . 0.0 109.761 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.16 -38.15 87.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.464 -0.773 . . . . 0.0 110.695 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -59.85 -46.82 88.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.893 -1.129 . . . . 0.0 109.682 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -61.07 -43.95 98.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.206 -0.934 . . . . 0.0 110.39 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 mtt -60.78 -55.22 35.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 111.111 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -38.56 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.914 -1.116 . . . . 0.0 110.591 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -57.43 -34.97 69.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.62 -18.52 42.15 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.213 -0.929 . . . . 0.0 111.739 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -133.06 23.74 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 120.99 -1.069 . . . . 0.0 111.878 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.18 103.58 16.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.604 -1.31 . . . . 0.0 108.453 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 -24.67 17.54 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.009 -1.057 . . . . 0.0 110.872 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 19.5 p30 -89.52 -7.89 53.96 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.75 -1.219 . . . . 0.0 108.909 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.15 24.07 68.49 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.6 p30 -94.44 2.06 55.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.42 -1.047 . . . . 0.0 110.08 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.87 21.21 75.05 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -141.41 160.02 41.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.126 -1.22 . . . . 0.0 107.994 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.3 mt -100.63 121.46 51.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.41 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -91.19 155.04 18.89 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.84 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.2 t80 -45.82 -52.78 23.52 Favored Pre-proline 0 C--N 1.299 -1.603 0 O-C-N 121.338 -0.851 . . . . 0.0 111.978 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.42 -33.62 97.4 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 120.824 1.33 . . . . 0.0 111.379 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.27 -43.39 94.99 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.03 -45.52 93.22 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.638 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.72 -41.0 80.89 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.787 0.803 . . . . 0.0 109.691 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -63.3 -42.75 99.09 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.5 ttp -63.19 -42.02 99.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.247 -0.908 . . . . 0.0 109.382 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 110.483 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 -25.02 48.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.891 -1.131 . . . . 0.0 108.957 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -51.57 -17.79 0.94 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.362 -0.836 . . . . 0.0 108.928 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 63.4 tttm -58.99 -42.41 89.98 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -62.3 -39.36 92.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.798 -0.564 . . . . 0.0 109.68 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.51 -12.73 60.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.011 -1.056 . . . . 0.0 109.8 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 96.2 m-20 52.41 44.53 29.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 110.467 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -60.04 2.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.89 -1.131 . . . . 0.0 109.41 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.93 -10.91 54.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 108.548 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 m -48.57 -37.62 18.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.7 -43.44 98.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.568 -1.332 . . . . 0.0 109.572 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.21 -41.57 73.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.257 -0.902 . . . . 0.0 112.753 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.3 -31.71 65.95 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.498 -1.376 . . . . 0.0 110.613 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.25 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.113 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.84 -38.4 88.8 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.662 -1.274 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.73 -38.71 91.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.15 -35.55 69.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.23 -0.919 . . . . 0.0 110.311 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 36.9 t80 -58.59 -39.42 80.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.886 -1.134 . . . . 0.0 108.662 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.6 -40.02 95.59 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.673 -0.642 . . . . 0.0 110.218 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.91 -41.84 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.12 -0.987 . . . . 0.0 109.39 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -70.7 -41.1 72.42 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.651 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -83.49 85.83 7.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.835 -1.166 . . . . 0.0 110.264 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.574 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -67.14 -39.63 86.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.678 -0.639 . . . . 0.0 111.434 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.68 -29.25 68.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.971 -1.08 . . . . 0.0 110.9 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.16 84.71 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.391 -1.385 . . . . 0.0 109.655 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.9 p-10 -69.32 -7.13 34.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.076 -1.249 . . . . 0.0 109.284 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.11 -3.51 85.66 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 62.6 m-85 -134.34 140.93 46.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.6 mt -95.95 122.02 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.841 -1.162 . . . . 0.0 109.829 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -95.11 167.06 11.61 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.238 -0.914 . . . . 0.0 110.96 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.08 98.13 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.74 -0.6 . . . . 0.0 112.193 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -38.25 90.38 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.4 -1.437 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.574 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -63.38 -41.87 98.81 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.647 -0.658 . . . . 0.0 112.042 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.4 tt -64.13 -36.48 84.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.031 -1.043 . . . . 0.0 111.633 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -67.18 -33.96 76.51 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.733 -1.23 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -57.77 -57.41 12.86 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.17 -0.956 . . . . 0.0 112.829 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.71 -39.41 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.086 -1.009 . . . . 0.0 108.895 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.569 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.9 mtp -62.55 -38.82 91.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.966 -1.084 . . . . 0.0 110.446 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -66.99 -40.11 87.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.215 -0.928 . . . . 0.0 110.988 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.41 -21.52 65.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 110.589 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.74 12.82 30.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.254 -0.904 . . . . 0.0 109.893 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -112.5 144.42 42.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.59 -0.947 . . . . 0.0 109.401 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -157.64 133.3 9.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.914 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -119.53 -172.54 2.34 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -99.81 162.69 12.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.121 -0.987 . . . . 0.0 109.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.68 -39.87 85.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 110.126 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.19 -41.81 97.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.255 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.33 -43.46 97.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -0.854 . . . . 0.0 109.728 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.06 -36.91 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.77 -47.18 87.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.037 -1.04 . . . . 0.0 109.998 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 65.5 mm-40 -64.35 -38.74 92.09 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.198 -0.939 . . . . 0.0 110.495 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.9 mtt -60.78 -40.5 92.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 108.987 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.76 -40.99 79.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.65 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 46.1 ttp180 -60.69 -47.22 87.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.934 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.56 -40.11 73.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.943 -1.098 . . . . 0.0 111.888 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.41 60.14 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.848 -1.157 . . . . 0.0 111.204 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.05 97.37 0.68 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.902 -1.124 . . . . 0.0 110.219 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -48.09 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.0 111.493 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.2 p-10 -74.12 -25.83 59.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.073 -1.017 . . . . 0.0 108.709 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.31 19.51 58.64 Favored Glycine 0 N--CA 1.481 1.636 0 C-N-CA 119.491 -1.338 . . . . 0.0 110.099 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.4 p30 -78.67 -8.98 59.22 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.293 -1.121 . . . . 0.0 110.025 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.0 -9.12 75.84 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.035 -1.078 . . . . 0.0 110.53 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.0 mp0 -131.19 157.19 43.85 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.193 -1.181 . . . . 0.0 108.699 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.36 123.89 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.587 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.65 179.87 4.06 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.068 0.937 . . . . 0.0 110.779 -177.681 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 10.5 m-85 -60.06 -39.6 86.58 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.27 -49.36 78.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.91 . . . . 0.0 109.776 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.89 -39.98 79.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.242 -0.911 . . . . 0.0 109.319 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -67.56 -42.05 83.24 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.882 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.86 -38.76 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 119.99 -1.694 . . . . 0.0 108.492 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -60.65 -38.57 85.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.751 . . . . 0.0 111.233 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.501 2.105 0 O-C-N 120.94 -1.1 . . . . 0.0 111.173 -177.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -107.91 157.33 18.28 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.965 0.888 . . . . 0.0 111.305 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.25 -35.36 77.05 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.813 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -58.96 -42.15 89.18 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.123 -0.985 . . . . 0.0 109.582 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.64 -42.23 98.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.932 -1.105 . . . . 0.0 110.454 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.38 -44.65 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.686 -1.259 . . . . 0.0 109.812 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.98 -37.81 88.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.058 -1.026 . . . . 0.0 110.287 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.04 -43.44 98.83 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.828 -1.17 . . . . 0.0 110.822 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.07 -29.44 20.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.06 -44.83 95.83 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.082 -1.011 . . . . 0.0 109.297 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.39 -46.78 88.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.395 -0.816 . . . . 0.0 109.073 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.04 -33.61 70.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.448 -0.782 . . . . 0.0 110.261 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.05 -47.23 83.74 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.179 -0.951 . . . . 0.0 111.615 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.7 p -62.89 -21.41 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.839 -1.163 . . . . 0.0 111.102 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -39.79 84.53 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.717 -1.24 . . . . 0.0 109.573 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.42 -38.85 78.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.032 -1.043 . . . . 0.0 109.46 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 49.1 t0 -83.29 83.06 8.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.766 -1.209 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -63.92 -26.81 68.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.271 -0.893 . . . . 0.0 109.783 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.48 -25.26 68.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.0 109.823 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 13.48 78.51 Favored Glycine 0 N--CA 1.497 2.758 0 O-C-N 120.649 -1.282 . . . . 0.0 110.472 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -91.32 3.16 55.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.192 -1.181 . . . . 0.0 109.931 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.74 88.26 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.209 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.5 p -135.37 150.23 49.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -1.151 . . . . 0.0 109.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.91 130.55 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 p -108.0 157.89 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.339 0.59 . . . . 0.0 109.726 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -54.77 -35.1 63.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.185 -0.947 . . . . 0.0 110.54 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -68.01 -39.4 83.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.048 -1.033 . . . . 0.0 109.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.86 -41.93 91.02 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.159 -0.963 . . . . 0.0 111.216 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -56.77 5.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.91 99.19 Favored Glycine 0 N--CA 1.486 1.98 0 C-N-CA 119.248 -1.453 . . . . 0.0 110.027 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.581 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 90.9 m -59.21 -46.28 88.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.666 -1.491 . . . . 0.0 109.265 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.47 -38.73 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.691 -1.256 . . . . 0.0 109.604 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.95 -37.75 86.82 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.633 -1.292 . . . . 0.0 109.324 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' NH2' ' N ' ' A' ' 34' ' ' THR . 78.1 mtm-85 -58.45 -34.11 70.47 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.597 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.5 m -55.18 -34.02 63.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 108.507 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 23.25 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.597 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.51 51.46 51.94 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -126.6 157.67 38.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.502 -0.999 . . . . 0.0 109.989 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -141.09 75.15 24.24 Favored Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.51 162.63 27.54 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.942 2.428 . . . . 0.0 112.802 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 p -105.24 162.13 13.68 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.855 0.836 . . . . 0.0 109.732 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.16 94.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.685 -0.635 . . . . 0.0 110.349 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.54 94.95 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 110.116 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.68 -46.45 85.51 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 110.127 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.34 -37.55 83.44 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.286 -0.884 . . . . 0.0 110.297 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -59.77 -45.4 92.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.937 -1.102 . . . . 0.0 109.298 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.85 -44.21 94.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 110.236 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.34 -58.59 7.96 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.942 -1.099 . . . . 0.0 110.717 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -37.31 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.22 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.9 -37.64 74.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.334 -0.854 . . . . 0.0 110.728 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.89 -20.51 63.82 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 111.708 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -128.01 24.43 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.038 -1.039 . . . . 0.0 111.23 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.6 t0 -90.07 99.85 12.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.767 -1.208 . . . . 0.0 108.916 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.89 17.71 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.26 -0.9 . . . . 0.0 110.509 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 32.0 p30 -92.93 -7.54 45.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.04 -1.038 . . . . 0.0 109.186 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.7 26.0 68.05 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.9 0.38 54.71 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.342 -1.093 . . . . 0.0 109.781 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.84 20.91 74.81 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.466 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 69.6 p -141.78 160.97 39.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.218 -1.166 . . . . 0.0 108.021 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.9 mt -100.33 122.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.296 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 67.5 m-20 -94.16 159.29 15.21 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -49.65 -45.34 78.78 Favored Pre-proline 0 C--N 1.304 -1.397 0 O-C-N 121.141 -0.975 . . . . 0.0 111.496 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.58 -38.91 47.9 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 CA-C-N 120.894 1.355 . . . . 0.0 110.976 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -44.74 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.06 -45.68 92.44 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.627 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.65 -39.61 84.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.093 0.949 . . . . 0.0 109.366 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -63.85 -42.69 97.51 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.407 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.83 -41.36 97.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -60.9 -41.05 95.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.411 -0.806 . . . . 0.0 110.809 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.75 -23.89 59.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.834 -1.166 . . . . 0.0 108.391 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -51.67 -18.61 1.24 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.478 -0.764 . . . . 0.0 109.343 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.4 -45.31 88.6 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.9 mpt? -62.4 -42.14 99.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.82 . . . . 0.0 109.619 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.58 -40.82 97.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.923 -1.111 . . . . 0.0 109.824 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.6 t0 60.21 56.18 3.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.656 -0.653 . . . . 0.0 109.565 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -73.01 0.6 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.218 -0.926 . . . . 0.0 109.652 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -83.11 -15.81 49.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.953 -1.092 . . . . 0.0 108.621 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -49.12 -31.99 9.12 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.49 -43.73 98.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.998 -1.064 . . . . 0.0 109.049 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -66.21 -41.4 90.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.502 -0.749 . . . . 0.0 109.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -70.16 -36.14 74.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.259 -0.901 . . . . 0.0 110.052 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 mt -61.27 -40.5 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.0 109.313 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.07 -37.78 86.65 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.809 -1.182 . . . . 0.0 109.817 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.96 -39.39 94.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.769 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.49 41.16 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.142 -0.973 . . . . 0.0 108.993 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -55.3 -40.3 70.92 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.97 -39.24 93.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.88 -40.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.162 -0.961 . . . . 0.0 110.044 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -71.21 -42.1 69.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.185 -0.947 . . . . 0.0 110.549 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -89.14 85.89 6.76 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.82 -1.175 . . . . 0.0 109.85 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.53 -22.4 60.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 110.388 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.4 -29.08 67.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.19 -0.944 . . . . 0.0 110.532 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.58 5.0 88.06 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.1 p-10 -69.62 -9.75 55.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.274 . . . . 0.0 109.316 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 4.43 79.73 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.3 m-85 -138.5 144.74 40.13 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.03 123.77 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 120.794 -1.191 . . . . 0.0 108.827 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.9 p -97.39 167.01 11.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.88 95.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.612 -0.68 . . . . 0.0 111.642 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.56 84.79 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.396 -1.44 . . . . 0.0 109.629 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.42 -42.27 98.48 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.153 -0.967 . . . . 0.0 111.948 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.31 -34.31 77.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.882 -1.136 . . . . 0.0 110.782 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -66.81 -34.27 77.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.032 -1.043 . . . . 0.0 110.676 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -65.8 -58.54 5.4 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.41 -44.57 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.231 -0.918 . . . . 0.0 110.234 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 109' ' ' MET . 4.5 ppp? -65.23 -23.83 67.17 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.55 -1.343 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.565 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 94.2 m -70.56 -40.65 73.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.658 -1.276 . . . . 0.0 110.084 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -66.9 -20.5 65.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.374 -0.829 . . . . 0.0 110.443 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.29 7.85 38.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.987 -1.071 . . . . 0.0 109.887 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.39 79.35 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.185 -1.007 . . . . 0.0 110.778 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.4 135.43 37.04 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.114 -1.227 . . . . 0.0 109.343 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.565 ' NZ ' HG23 ' A' ' 110' ' ' THR . 22.3 mmtm -132.21 101.33 5.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.607 -0.683 . . . . 0.0 110.233 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.05 173.59 6.26 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.9 p -101.02 163.97 12.03 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.3 -0.875 . . . . 0.0 108.77 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.61 -38.67 81.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.088 -1.008 . . . . 0.0 109.649 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.03 -41.12 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.122 -0.986 . . . . 0.0 109.175 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.5 -43.12 99.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.249 -0.907 . . . . 0.0 109.419 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.63 -36.12 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.27 -45.35 94.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.091 -1.006 . . . . 0.0 110.177 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.46 -38.59 91.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.041 -1.037 . . . . 0.0 110.342 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.4 mtt -61.07 -39.56 90.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.205 -0.934 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.89 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 108.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.56 -45.22 94.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.932 -1.105 . . . . 0.0 110.625 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.29 -39.3 92.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.154 -0.966 . . . . 0.0 111.589 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -85.95 -5.96 59.14 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.787 -1.196 . . . . 0.0 110.82 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -81.63 88.97 6.2 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.847 -1.158 . . . . 0.0 110.136 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.93 -44.69 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.342 -0.849 . . . . 0.0 111.44 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.3 p-10 -77.79 -24.28 48.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.107 . . . . 0.0 109.015 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.552 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.28 22.9 58.08 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -77.43 -10.54 59.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.362 -1.081 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.81 -11.2 69.6 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 9.8 mp0 -130.91 166.22 21.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.309 -1.112 . . . . 0.0 108.47 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.82 124.48 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.601 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.54 -179.29 3.83 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.964 0.887 . . . . 0.0 110.436 -178.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.6 m-85 -59.08 -39.3 81.7 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.49 -50.45 73.52 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.394 -0.816 . . . . 0.0 109.63 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -68.56 -40.64 80.52 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.969 -1.082 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.89 -46.93 85.55 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.772 -0.58 . . . . 0.0 110.899 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.97 -42.27 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 119.942 -1.724 . . . . 0.0 107.674 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -62.19 -39.8 93.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 110.77 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 26.6 ttp . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.832 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 4' ' ' LEU . 9.3 tp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -109.22 157.13 19.1 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.595 0.712 . . . . 0.0 110.497 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 3.7 pm0 -65.38 -29.45 70.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.53 -0.731 . . . . 0.0 110.415 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.66 -37.75 76.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.124 -0.985 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.68 -40.3 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.14 -0.975 . . . . 0.0 110.105 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.03 -40.06 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.818 -1.176 . . . . 0.0 109.49 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.74 79.1 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.94 -1.1 . . . . 0.0 109.593 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.96 -44.11 97.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.979 -1.076 . . . . 0.0 110.705 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.3 -21.08 25.96 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.845 -1.16 . . . . 0.0 109.857 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.47 -43.47 97.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.797 -1.19 . . . . 0.0 109.047 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.52 -45.8 92.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 0.0 108.879 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.49 84.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.138 -0.976 . . . . 0.0 109.27 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.32 -45.22 84.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.251 -0.906 . . . . 0.0 110.869 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.88 -22.73 66.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.975 -1.078 . . . . 0.0 111.705 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -43.02 83.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.361 -1.462 . . . . 0.0 110.056 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.64 -38.07 77.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.003 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 52.3 t0 -83.83 81.04 8.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.823 -1.173 . . . . 0.0 109.718 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.03 -22.12 66.42 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.209 -0.932 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.12 -30.69 71.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.398 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.2 4.26 88.82 Favored Glycine 0 N--CA 1.496 2.664 0 O-C-N 120.362 -1.462 . . . . 0.0 110.096 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -87.86 3.07 49.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -1.125 . . . . 0.0 109.852 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 11.57 85.08 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.478 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 64.9 p -137.36 149.84 47.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -1.16 . . . . 0.0 108.914 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 130.48 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 121.789 0.804 . . . . 0.0 108.926 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.4 p -109.31 159.08 17.26 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -56.82 -35.03 68.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.24 -0.913 . . . . 0.0 110.145 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.81 -42.22 95.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.92 . . . . 0.0 109.846 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 42.4 mt-10 -64.98 -43.81 91.41 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.404 -0.81 . . . . 0.0 111.159 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -50.91 27.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.142 -0.974 . . . . 0.0 109.549 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.24 97.27 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.234 -1.46 . . . . 0.0 110.126 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.1 m -59.8 -46.63 88.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.835 -1.391 . . . . 0.0 109.713 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.89 -32.33 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.848 -1.158 . . . . 0.0 108.653 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 ttt -60.75 -33.54 73.08 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.935 -1.103 . . . . 0.0 109.453 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -59.71 -30.23 68.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -58.34 -37.41 75.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.92 13.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 0.0 108.903 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 62.74 41.57 99.82 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.222 -0.99 . . . . 0.0 110.862 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -114.99 160.8 19.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.472 -1.017 . . . . 0.0 109.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -141.5 68.64 25.8 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.706 -0.621 . . . . 0.0 109.477 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -77.28 166.09 26.77 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 123.099 2.533 . . . . 0.0 112.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -102.78 160.83 14.24 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.772 0.796 . . . . 0.0 109.797 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.79 -42.83 98.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.76 -0.588 . . . . 0.0 110.7 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.835 -1.166 . . . . 0.0 110.127 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.78 -44.23 94.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.83 -1.169 . . . . 0.0 110.256 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.17 -37.66 84.1 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.317 -0.865 . . . . 0.0 109.487 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.518 ' OE1' ' ND2' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -60.6 -40.25 91.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 108.511 -179.283 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -62.17 -43.55 98.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.84 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.1 mtt -60.1 -51.08 71.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.895 -1.128 . . . . 0.0 110.319 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.24 -34.67 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.985 -1.072 . . . . 0.0 109.625 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 49' ' ' GLN . 1.4 m120 -55.87 -26.08 45.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.937 -1.102 . . . . 0.0 110.214 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.93 -26.52 68.24 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.959 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 55' ' ' VAL . 12.9 p -135.66 37.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.002 -1.061 . . . . 0.0 111.547 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -94.8 104.22 16.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.71 -1.244 . . . . 0.0 109.196 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.87 -24.44 17.73 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.048 -1.032 . . . . 0.0 110.525 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.0 p30 -92.43 -10.01 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.214 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.77 25.66 69.28 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -96.5 2.83 52.84 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.379 -1.071 . . . . 0.0 110.598 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.63 21.34 74.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.486 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.3 p -141.01 161.48 37.75 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.81 122.66 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -89.2 153.15 21.16 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.879 -1.129 . . . . 0.0 108.021 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -47.09 -46.53 54.92 Favored Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 111.597 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.2 -36.99 77.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 CA-C-N 121.151 1.447 . . . . 0.0 111.045 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.18 -43.37 98.98 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 32.4 t80 -60.98 -44.73 96.94 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.662 0.744 . . . . 0.0 110.379 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.23 -41.68 93.63 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.779 0.799 . . . . 0.0 110.037 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.3 m -61.07 -42.59 98.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.3 ttp -63.67 -37.12 86.15 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.831 -0.747 . . . . 0.0 109.23 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 68' ' ' PHE . 2.4 mtp -59.97 -43.48 95.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.038 -1.038 . . . . 0.0 109.855 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.23 -22.74 47.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.777 -1.202 . . . . 0.0 108.837 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 63.5 ttm-85 -59.67 -21.84 61.11 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.599 -0.688 . . . . 0.0 110.463 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.6 -42.86 75.44 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.092 -1.005 . . . . 0.0 108.362 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 2.0 mpt? -60.77 -38.51 85.5 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.82 -22.43 62.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.149 -0.97 . . . . 0.0 109.392 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 82' ' ' GLU . 13.4 t70 58.35 55.13 5.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 109.889 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.431 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -91.97 -65.1 1.03 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.0 -1.063 . . . . 0.0 109.768 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -83.04 -12.24 57.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.976 -1.077 . . . . 0.0 108.162 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -48.8 -37.58 19.59 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 78' ' ' ASP . 58.3 mp0 -61.28 -41.47 97.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 109.214 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.19 -45.71 87.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.127 -0.983 . . . . 0.0 109.784 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.56 -39.83 84.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -0.943 . . . . 0.0 110.556 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.2 -46.18 97.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.6 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -67.71 -39.0 84.39 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.581 -1.325 . . . . 0.0 110.018 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -68.03 -38.99 83.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.949 -1.095 . . . . 0.0 110.115 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.16 62.39 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.237 -0.914 . . . . 0.0 110.079 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.1 t80 -57.36 -40.59 78.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 108.913 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.88 -39.48 94.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.555 -0.715 . . . . 0.0 110.179 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.36 -40.0 63.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.305 -0.872 . . . . 0.0 109.681 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.2 -42.76 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.141 -0.974 . . . . 0.0 110.43 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -88.61 86.09 6.94 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.861 -1.149 . . . . 0.0 110.328 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -76.82 -23.09 52.79 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.058 -1.026 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 96.4 m-20 -68.54 -29.67 68.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.952 -1.093 . . . . 0.0 110.536 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.41 5.6 87.78 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.1 p-10 -69.55 -8.24 45.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.786 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.59 -2.18 86.04 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.8 m-85 -132.86 140.84 48.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -94.14 130.91 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.961 -1.087 . . . . 0.0 109.924 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 p -107.3 165.97 10.99 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.982 0.896 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.0 90.49 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.876 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.09 84.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.309 -1.494 . . . . 0.0 108.539 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.4 mt-10 -61.69 -40.04 93.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.269 -0.895 . . . . 0.0 109.717 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -67.18 -41.02 86.62 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 111.704 -178.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -63.02 -37.03 85.58 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 120.314 -1.491 . . . . 0.0 110.171 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.3 -61.92 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.227 -0.921 . . . . 0.0 112.351 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.68 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.327 -0.858 . . . . 0.0 110.071 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.7 mtp -63.54 -39.43 94.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.848 -1.157 . . . . 0.0 110.405 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.3 m -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.214 -0.928 . . . . 0.0 110.253 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -36.49 84.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 111.613 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.19 -3.97 25.04 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.208 -0.932 . . . . 0.0 111.029 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.01 -94.74 0.18 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -174.03 160.55 3.5 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.465 -1.609 . . . . 0.0 108.432 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.15 133.76 51.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -109.97 -172.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.9 p -101.92 159.52 15.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.967 -1.083 . . . . 0.0 109.137 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -57.58 -40.3 78.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 109.909 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.99 -42.45 94.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.041 -1.037 . . . . 0.0 109.663 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -61.43 -45.23 95.19 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.201 -0.937 . . . . 0.0 110.101 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.75 -32.83 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.543 -0.723 . . . . 0.0 109.136 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.58 -43.0 97.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.067 -1.021 . . . . 0.0 109.491 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -39.0 92.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.853 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.3 ttt -58.79 -40.11 83.08 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.027 -1.046 . . . . 0.0 109.239 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.81 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.382 -0.823 . . . . 0.0 109.7 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.5 -45.81 90.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.917 -1.114 . . . . 0.0 111.283 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.16 -38.99 93.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.99 -1.069 . . . . 0.0 111.316 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 0.21 57.37 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.889 -1.132 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -81.3 83.57 6.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.217 . . . . 0.0 110.534 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.07 -43.96 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.131 -0.981 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.8 p30 -76.2 -25.43 55.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.77 20.46 63.54 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 48.9 p-10 -81.11 -4.21 54.55 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.361 -1.082 . . . . 0.0 110.103 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.78 -0.14 83.06 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -138.15 159.14 42.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.189 -1.183 . . . . 0.0 108.5 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.8 t -98.54 121.92 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.599 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.57 -178.62 3.7 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.716 0.769 . . . . 0.0 109.922 -178.064 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 9.1 m-85 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -60.64 -50.79 72.09 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.442 -0.787 . . . . 0.0 109.852 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 80.3 mt-10 -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.031 -1.043 . . . . 0.0 109.152 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.61 -47.43 81.42 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.689 -0.632 . . . . 0.0 110.792 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.01 -43.43 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 119.992 -1.692 . . . . 0.0 108.052 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.88 -40.17 96.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.374 -0.828 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 109.962 -179.284 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.2 tp . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -108.12 156.75 18.95 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.615 0.722 . . . . 0.0 110.852 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -63.66 -20.12 65.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.662 -0.649 . . . . 0.0 110.249 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.02 -39.42 83.14 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.809 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -66.21 -39.62 89.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 110.514 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.519 -1.363 . . . . 0.0 108.802 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.0 89.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.105 -0.997 . . . . 0.0 109.983 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.05 -43.44 98.82 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.836 -1.165 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.5 -28.12 22.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.869 -1.144 . . . . 0.0 110.857 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.76 -44.26 96.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.986 -1.071 . . . . 0.0 109.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.83 -46.95 87.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 108.855 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.13 73.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 0.0 110.032 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 82.1 t80 -59.09 -47.63 84.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.066 -1.021 . . . . 0.0 111.792 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.05 -22.37 65.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.835 -1.166 . . . . 0.0 111.089 -177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -39.55 90.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.794 -1.191 . . . . 0.0 109.756 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.35 -38.76 78.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.99 -1.069 . . . . 0.0 109.963 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -82.69 83.49 7.64 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.672 -1.267 . . . . 0.0 109.83 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -62.59 -29.35 70.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.28 -0.887 . . . . 0.0 109.881 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.41 -26.77 68.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 0.0 110.031 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.65 78.71 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 120.507 -1.371 . . . . 0.0 110.532 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -92.32 5.1 51.84 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.121 -1.223 . . . . 0.0 109.963 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.78 7.98 88.06 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.384 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.3 p -135.87 151.36 49.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.26 -1.141 . . . . 0.0 109.16 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.2 mt -105.49 130.53 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -107.71 158.5 17.22 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.373 0.606 . . . . 0.0 109.913 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 p -55.47 -36.47 66.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.225 -0.922 . . . . 0.0 110.455 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.66 -41.72 92.21 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.128 -0.982 . . . . 0.0 109.939 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.55 -41.85 92.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.293 -0.88 . . . . 0.0 111.474 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -56.44 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.057 -1.027 . . . . 0.0 110.268 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.6 99.15 Favored Glycine 0 N--CA 1.485 1.937 0 C-N-CA 119.444 -1.36 . . . . 0.0 110.174 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.95 -46.89 87.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.017 -1.284 . . . . 0.0 109.464 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.08 -38.88 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.667 -1.271 . . . . 0.0 109.231 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.32 -33.52 75.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.951 -1.093 . . . . 0.0 108.874 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -58.17 -36.36 72.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.36 -0.838 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.6 m -56.07 -34.21 65.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.224 -0.922 . . . . 0.0 108.575 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -69.39 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.62 55.05 22.28 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -126.11 152.51 45.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.446 -1.032 . . . . 0.0 109.749 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -140.61 66.04 27.14 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.45 162.87 30.33 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 123.039 2.492 . . . . 0.0 112.395 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -99.72 160.8 14.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.399 -0.813 . . . . 0.0 109.773 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 50.0 mp0 -60.74 -43.25 98.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.672 -0.642 . . . . 0.0 110.373 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.15 93.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.104 -0.997 . . . . 0.0 110.033 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.34 -45.29 91.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.39 -38.16 86.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.249 -0.907 . . . . 0.0 110.38 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' NE2' ' OD1' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -60.24 -40.36 89.99 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 108.461 -179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.96 -47.24 85.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.476 -0.765 . . . . 0.0 110.311 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.11 -56.83 15.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.079 . . . . 0.0 110.434 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -35.79 69.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.568 -0.708 . . . . 0.0 110.044 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.466 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -59.11 -26.13 64.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.301 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.76 -24.88 67.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.135 -0.978 . . . . 0.0 111.26 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' VAL . 14.4 p -135.52 32.74 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 120.959 -1.088 . . . . 0.0 111.565 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.0 t0 -91.13 102.4 15.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.611 -1.305 . . . . 0.0 108.968 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.71 -23.8 18.09 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.08 -1.012 . . . . 0.0 110.316 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.536 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 29.8 p30 -92.61 -6.84 48.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.96 -1.088 . . . . 0.0 109.054 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.4 26.61 64.45 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.536 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.8 p-10 -96.09 2.51 53.3 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.317 -1.108 . . . . 0.0 110.449 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.41 19.86 74.81 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.489 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 70.5 p -140.45 160.9 38.98 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.176 -1.19 . . . . 0.0 107.81 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.89 122.24 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.46 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -91.21 155.67 18.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.084 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 27.4 t80 -46.83 -52.9 29.47 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.289 -0.882 . . . . 0.0 111.707 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 16.8 Cg_endo -57.39 -35.95 98.85 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 CA-C-N 120.696 1.284 . . . . 0.0 111.382 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.15 -44.55 91.79 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 51.6 t80 -62.1 -46.93 86.9 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.074 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.9 tp -59.09 -39.79 83.28 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.942 0.877 . . . . 0.0 109.738 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.2 m -64.39 -43.51 94.23 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.193 0.52 . . . . 0.0 109.801 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ttp -62.4 -42.66 99.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.165 -0.959 . . . . 0.0 109.342 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.88 -41.7 96.48 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.52 -0.738 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -29.16 52.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.764 -1.21 . . . . 0.0 109.153 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' ASP . 41.9 ttm180 -62.87 -43.18 99.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.449 -0.782 . . . . 0.0 110.403 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 78' ' ' ASP . 87.8 tttt -59.3 -45.97 89.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 108.903 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmm -64.5 -36.51 84.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.167 -0.958 . . . . 0.0 109.786 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.35 10.42 40.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.783 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 74' ' ' ARG . 22.2 t0 -156.63 179.95 8.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.011 -1.056 . . . . 0.0 109.361 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -141.9 47.2 1.64 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.587 -0.696 . . . . 0.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -69.26 -8.9 50.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.6 p -77.64 3.92 12.67 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.54 -46.58 80.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.467 -0.771 . . . . 0.0 109.514 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.4 -39.65 91.47 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.639 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 55.6 mp0 -70.43 -28.11 64.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.662 -0.649 . . . . 0.0 109.961 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.1 -42.76 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -66.3 -36.7 83.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.773 -1.205 . . . . 0.0 110.008 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -39.69 94.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.44 -27.95 40.77 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 30.8 t80 -56.77 -39.86 74.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.382 -0.824 . . . . 0.0 109.225 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -65.48 -37.91 88.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.075 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.82 -41.37 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 0.0 109.758 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.99 -39.57 69.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 110.017 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.2 t0 -82.5 81.43 8.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.986 -1.071 . . . . 0.0 110.666 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -63.69 -43.24 97.24 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.313 -0.867 . . . . 0.0 111.531 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 56.5 p30 -68.68 -26.31 65.23 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.793 -1.192 . . . . 0.0 111.056 -177.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.34 15.21 81.64 Favored Glycine 0 N--CA 1.487 2.059 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.978 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.1 p-10 -69.15 -5.75 24.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.854 -1.38 . . . . 0.0 108.47 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.65 3.58 80.66 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.479 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 45.3 m-85 -138.78 143.89 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -95.54 128.79 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.745 -1.222 . . . . 0.0 109.577 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -106.06 165.64 11.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.988 0.899 . . . . 0.0 110.746 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.55 92.17 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.838 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.2 86.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.378 -1.451 . . . . 0.0 108.497 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.58 -41.05 96.85 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.107 -0.996 . . . . 0.0 109.88 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.16 -40.3 90.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.268 -0.895 . . . . 0.0 110.263 -179.432 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.09 -39.5 92.66 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.618 -1.301 . . . . 0.0 110.102 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.26 -60.76 2.81 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.297 -0.877 . . . . 0.0 112.535 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.34 -40.99 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.173 -0.954 . . . . 0.0 109.623 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.3 mtp -63.32 -38.29 90.59 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 110.17 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.8 m -66.09 -40.73 91.02 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.209 -0.932 . . . . 0.0 111.338 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.45 -22.27 66.91 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.106 -0.996 . . . . 0.0 111.553 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.5 mt -89.11 9.4 25.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.797 -1.19 . . . . 0.0 110.18 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.31 11.08 83.84 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -106.79 137.38 44.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.614 -0.933 . . . . 0.0 109.035 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -143.63 122.13 12.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.422 -0.799 . . . . 0.0 109.477 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.26 -179.27 3.59 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.2 p -101.16 164.3 11.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 108.939 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -59.39 -39.23 82.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.255 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -62.08 -40.08 94.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.03 -1.044 . . . . 0.0 109.344 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.93 -43.16 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.615 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -72.42 -35.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.36 -41.52 89.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.087 -1.008 . . . . 0.0 109.251 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.34 -39.04 91.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.977 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.005 -1.059 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.47 -44.56 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.721 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -60.74 -45.42 94.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.985 . . . . 0.0 110.903 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.53 -38.6 87.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.963 -1.086 . . . . 0.0 111.391 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.73 0.88 56.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.804 -1.185 . . . . 0.0 110.853 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.27 83.89 7.28 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.655 -1.278 . . . . 0.0 111.108 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.13 -44.07 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.19 -0.943 . . . . 0.0 110.848 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.6 p-10 -76.45 -25.75 54.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 109.085 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.51 20.71 63.55 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.451 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.1 p-10 -79.98 -7.6 58.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.333 -1.098 . . . . 0.0 110.285 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 86.42 -7.04 80.57 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.848 -1.168 . . . . 0.0 110.21 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.5 mp0 -131.4 170.4 14.72 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.269 -1.136 . . . . 0.0 108.591 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.92 125.07 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.595 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 -179.06 3.77 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.912 0.863 . . . . 0.0 110.464 -178.636 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.4 m-85 -59.45 -40.02 85.46 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -60.62 -50.37 73.77 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.381 -0.825 . . . . 0.0 109.653 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 86.9 mt-10 -67.71 -40.71 84.26 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.237 -0.915 . . . . 0.0 109.359 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.54 -48.2 80.54 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.868 -0.52 . . . . 0.0 110.673 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.1 t -71.51 -44.24 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.593 0 O-C-N 119.925 -1.735 . . . . 0.0 108.435 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -61.68 -41.46 97.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.329 -0.857 . . . . 0.0 110.053 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 C--N 1.296 -1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 109.274 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 4' ' ' LEU . 9.1 tp . . . . . 0 N--CA 1.495 1.814 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 p -109.73 157.52 19.04 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-O 121.688 0.756 . . . . 0.0 110.682 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.38 -39.91 94.78 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.706 -0.621 . . . . 0.0 110.053 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.84 -41.09 97.39 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.071 -1.018 . . . . 0.0 110.303 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.42 -40.09 93.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.102 -0.999 . . . . 0.0 110.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.15 -40.01 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.594 -1.316 . . . . 0.0 109.64 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.97 76.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.924 -1.11 . . . . 0.0 109.837 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.79 -42.51 97.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.812 -1.18 . . . . 0.0 110.331 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.96 -19.26 29.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.911 -1.118 . . . . 0.0 109.752 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.32 -43.21 98.44 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.798 -1.189 . . . . 0.0 109.206 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.83 -43.48 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.078 -1.014 . . . . 0.0 109.255 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.55 84.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.935 . . . . 0.0 109.188 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 -45.28 86.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 0.0 111.34 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.32 -39.3 82.63 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.059 -1.026 . . . . 0.0 111.503 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -42.07 63.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.72 -1.237 . . . . 0.0 110.502 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -67.66 -38.69 84.15 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.796 -1.19 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 52.2 t0 -84.05 82.98 8.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.676 -1.265 . . . . 0.0 109.711 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -63.34 -25.38 68.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.251 -0.906 . . . . 0.0 110.083 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.36 -28.8 70.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.987 -1.071 . . . . 0.0 110.131 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.83 85.12 Favored Glycine 0 N--CA 1.498 2.795 0 O-C-N 120.532 -1.355 . . . . 0.0 110.129 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -91.59 5.15 50.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.453 -1.028 . . . . 0.0 109.793 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 12.52 84.52 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 72.9 p -137.68 149.82 46.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.183 -1.187 . . . . 0.0 109.205 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -105.67 130.56 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 CA-C-O 121.715 0.769 . . . . 0.0 109.087 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.6 p -107.43 158.28 17.31 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.9 p -55.65 -35.72 66.25 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.15 -0.969 . . . . 0.0 110.121 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -64.73 -42.35 95.28 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.0 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.98 -42.07 90.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.853 . . . . 0.0 111.384 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -56.04 6.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.037 . . . . 0.0 110.223 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.07 96.44 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.056 -1.545 . . . . 0.0 109.88 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.0 m -59.88 -46.17 90.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.985 -1.303 . . . . 0.0 109.098 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.14 -38.41 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.68 -1.262 . . . . 0.0 108.978 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.5 ttp -65.1 -27.6 68.86 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 108.815 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -60.94 -37.74 83.41 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.329 -0.857 . . . . 0.0 109.686 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 40' ' ' GLY . 46.2 t -57.8 -35.25 70.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 108.766 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -65.33 16.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.85 36.37 92.07 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.063 -1.023 . . . . 0.0 110.582 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -110.75 154.69 23.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.521 -0.988 . . . . 0.0 109.803 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -138.59 68.71 45.3 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.69 163.74 28.8 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 123.049 2.499 . . . . 0.0 112.825 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 p -105.69 165.25 11.3 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.735 0.779 . . . . 0.0 109.574 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.07 -42.02 93.66 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.643 -0.661 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.91 95.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.32 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.34 -45.22 88.8 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.952 -1.092 . . . . 0.0 110.221 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.08 -35.52 80.0 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.368 -0.833 . . . . 0.0 109.558 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -58.72 -48.43 81.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 0.0 109.806 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.05 -1.031 . . . . 0.0 109.73 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.3 mtt -60.98 -51.63 68.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.112 -0.993 . . . . 0.0 110.674 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -40.06 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.978 -1.076 . . . . 0.0 110.495 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.29 -36.25 75.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.534 -0.729 . . . . 0.0 110.236 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.88 -24.08 61.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.187 -0.946 . . . . 0.0 111.71 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -122.75 16.31 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 O-C-N 121.249 -0.907 . . . . 0.0 111.296 -179.269 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 64.4 t0 -85.69 105.92 16.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.692 -1.255 . . . . 0.0 109.146 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.45 -24.16 17.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.22 -0.925 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 37.0 p30 -90.81 -6.63 54.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.887 -1.133 . . . . 0.0 109.439 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.26 24.95 66.02 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.5 p-10 -92.88 0.1 57.34 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -1.148 . . . . 0.0 109.62 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.45 17.37 77.72 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.07 161.54 37.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.164 -1.198 . . . . 0.0 107.951 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.52 122.19 53.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -92.21 153.28 19.39 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.002 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 10.4 t80 -43.54 -52.2 14.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 O-C-N 121.327 -0.858 . . . . 0.0 112.095 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -59.67 -32.8 96.41 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 CA-C-N 120.921 1.365 . . . . 0.0 111.469 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.97 -43.76 91.58 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -60.94 -44.43 97.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.423 0.63 . . . . 0.0 110.013 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.6 -39.22 79.8 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.32 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -62.04 -44.05 97.54 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.0 -41.05 97.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.189 -0.944 . . . . 0.0 109.638 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.54 -44.03 93.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.936 . . . . 0.0 110.873 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.54 -23.71 42.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.848 -1.157 . . . . 0.0 108.669 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -58.18 -26.56 62.93 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.692 -0.63 . . . . 0.0 110.147 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 38.7 ttpt -57.1 -44.27 83.05 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 109.07 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtt -61.4 -43.65 98.51 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 108.912 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -70.17 -37.3 75.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 47.6 m-20 60.12 51.81 5.46 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.337 0.589 . . . . 0.0 109.687 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -69.94 0.59 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.336 -0.853 . . . . 0.0 110.077 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 81' ' ' SER . 57.8 p-10 -81.2 -16.37 52.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 90.8 p -55.79 -24.63 36.93 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.183 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.59 -41.99 91.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.77 -39.42 93.58 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.473 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.08 -18.76 61.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mt -61.05 -43.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.908 -1.12 . . . . 0.0 108.657 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -65.41 -39.27 91.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.642 -1.286 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.13 -38.19 87.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.887 -1.133 . . . . 0.0 110.168 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.84 67.99 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 32.0 t80 -56.55 -38.34 71.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.844 -1.16 . . . . 0.0 108.886 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.08 -40.37 97.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 110.794 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -39.88 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.009 . . . . 0.0 109.543 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.16 -41.45 63.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.305 -0.872 . . . . 0.0 109.866 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.3 t0 -81.24 82.66 7.06 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.021 -1.049 . . . . 0.0 109.883 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.41 -44.62 90.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.646 -0.659 . . . . 0.0 111.344 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 52.9 p-10 -68.78 -27.12 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.011 -1.056 . . . . 0.0 110.792 -178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.31 16.48 79.82 Favored Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.578 -1.296 . . . . 0.0 110.072 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.8 p-10 -68.79 -7.26 32.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.351 . . . . 0.0 108.585 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.23 80.07 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.527 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.2 m-85 -134.02 142.3 47.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -96.8 127.87 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.56 -1.338 . . . . 0.0 109.151 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.4 p -105.68 165.21 11.33 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.816 0.817 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.88 86.1 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.868 -0.52 . . . . 0.0 111.379 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.12 83.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.452 -1.405 . . . . 0.0 108.624 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.6 -40.49 94.99 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.238 -0.914 . . . . 0.0 109.961 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.36 -40.68 85.81 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.211 -0.93 . . . . 0.0 111.008 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -63.8 -37.96 89.33 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.394 -1.441 . . . . 0.0 109.983 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.75 -60.05 3.54 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.448 -0.783 . . . . 0.0 112.389 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.74 -40.65 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.079 -1.013 . . . . 0.0 109.769 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.453 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -62.75 -38.01 88.85 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.2 m -64.39 -40.74 96.39 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.224 -0.923 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.14 -23.12 67.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.111 -0.993 . . . . 0.0 111.349 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.04 7.87 38.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.907 -1.121 . . . . 0.0 109.832 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 11.05 83.66 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.55 127.07 47.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.588 -0.948 . . . . 0.0 108.889 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -135.78 116.81 14.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.557 -0.714 . . . . 0.0 109.465 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 -177.49 3.14 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -101.35 162.74 12.68 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.29 -0.881 . . . . 0.0 109.08 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.38 -40.68 82.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 110.047 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.51 -41.55 94.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.051 -1.031 . . . . 0.0 109.157 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.12 -43.44 98.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 109.67 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.77 -32.86 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.94 -40.66 85.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 108.851 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.5 -37.84 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.136 -0.978 . . . . 0.0 109.857 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.03 -42.97 91.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.118 -0.989 . . . . 0.0 109.884 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.36 -46.2 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.117 -0.99 . . . . 0.0 110.099 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.91 -41.53 99.47 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.625 -1.297 . . . . 0.0 111.172 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.41 -39.19 85.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.88 -1.137 . . . . 0.0 111.211 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.52 -7.23 55.37 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.918 -1.114 . . . . 0.0 111.427 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.9 90.67 4.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.698 -1.252 . . . . 0.0 109.795 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.26 -44.45 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.548 -0.72 . . . . 0.0 111.312 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.7 p30 -77.32 -24.28 50.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.564 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.62 21.72 57.47 Favored Glycine 0 N--CA 1.482 1.704 0 C-N-CA 119.608 -1.282 . . . . 0.0 109.939 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.8 p30 -77.87 -11.78 59.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.354 -1.086 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.51 -10.52 73.12 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.4 162.99 28.88 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -1.095 . . . . 0.0 108.529 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.93 123.15 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.24 -174.67 2.58 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.995 0.902 . . . . 0.0 110.619 -177.624 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.8 m-85 -62.06 -40.09 94.61 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.9 -50.84 71.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.378 -0.826 . . . . 0.0 109.805 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.39 -41.62 84.69 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.213 -0.929 . . . . 0.0 109.245 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.95 -47.42 83.26 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.588 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.55 -43.19 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.029 -1.669 . . . . 0.0 108.654 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -64.98 -38.34 90.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.564 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.302 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -109.19 156.96 19.25 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.558 0.694 . . . . 0.0 110.565 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -39.76 94.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.557 -0.714 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.979 -1.076 . . . . 0.0 110.375 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -61.39 -40.03 92.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.023 . . . . 0.0 110.173 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.23 -39.63 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.464 -1.398 . . . . 0.0 109.654 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.35 76.37 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.901 -1.125 . . . . 0.0 109.792 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.772 -1.205 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.74 -19.37 29.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.869 -1.145 . . . . 0.0 109.775 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.4 -43.16 98.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 109.072 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.98 -46.28 89.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.194 -0.942 . . . . 0.0 108.985 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.76 81.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.218 -0.926 . . . . 0.0 109.493 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.04 -46.01 82.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.304 -0.872 . . . . 0.0 111.139 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -62.64 -21.99 66.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.871 -1.143 . . . . 0.0 111.779 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.9 88.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.402 -1.436 . . . . 0.0 110.094 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -69.38 -37.86 77.75 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.078 -1.014 . . . . 0.0 109.575 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -83.74 81.37 8.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.63 -1.294 . . . . 0.0 109.783 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.54 -22.56 66.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.17 -0.956 . . . . 0.0 110.007 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.09 -30.22 71.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 3.79 88.51 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.37 -1.457 . . . . 0.0 110.389 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -87.62 2.13 51.76 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.275 -1.132 . . . . 0.0 110.141 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.24 86.8 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.531 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.9 p -136.02 150.14 49.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.251 -1.146 . . . . 0.0 108.87 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.02 131.0 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.742 0.782 . . . . 0.0 108.998 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.6 p -109.01 159.49 16.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -55.98 -35.8 67.15 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.242 -0.911 . . . . 0.0 110.224 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.6 -41.57 96.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.239 -0.913 . . . . 0.0 109.795 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -42.92 88.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.502 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -52.56 18.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.996 -1.065 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.34 -39.63 96.4 Favored Glycine 0 N--CA 1.487 2.088 0 C-N-CA 119.539 -1.315 . . . . 0.0 109.864 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.5 m -60.61 -46.24 91.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.933 -1.334 . . . . 0.0 109.551 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.26 -37.67 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 120.753 -1.217 . . . . 0.0 109.154 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 ttt -62.32 -35.04 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.762 -1.212 . . . . 0.0 108.87 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -57.1 -34.94 68.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.504 -0.748 . . . . 0.0 109.474 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.592 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -57.76 -36.06 71.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 18.15 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.111 -0.993 . . . . 0.0 109.073 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.13 38.57 96.15 Favored Glycine 0 N--CA 1.484 1.846 0 C-N-CA 120.214 -0.994 . . . . 0.0 110.65 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.27 159.89 21.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.517 -0.99 . . . . 0.0 109.395 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -141.63 73.02 24.62 Favored Pre-proline 0 C--N 1.299 -1.629 0 O-C-N 121.651 -0.656 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.08 161.44 32.61 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.645 2.23 . . . . 0.0 112.072 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -104.25 163.67 12.26 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.755 0.788 . . . . 0.0 110.036 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -42.56 98.26 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.425 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.61 94.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.989 -1.069 . . . . 0.0 110.16 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.05 -43.52 92.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.852 -1.155 . . . . 0.0 109.987 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.47 -28.92 65.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.222 -0.924 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -59.14 -46.38 88.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 109.174 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.55 -41.18 94.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.0 ttp -60.22 -51.51 69.28 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.829 -1.17 . . . . 0.0 110.085 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -36.27 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.33 -36.37 73.3 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -61.1 -19.62 61.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.852 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.3 p -133.81 28.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.928 -1.108 . . . . 0.0 111.34 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.2 t0 -90.73 100.47 13.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.782 -1.199 . . . . 0.0 108.705 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 -22.55 18.45 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.068 -1.02 . . . . 0.0 110.34 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.2 p30 -91.9 -11.17 37.07 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.993 -1.067 . . . . 0.0 109.144 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.48 24.89 69.7 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.8 p30 -95.29 1.19 54.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.441 -1.035 . . . . 0.0 110.217 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.43 76.25 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.05 -1.031 . . . . 0.0 110.614 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -142.16 162.2 36.07 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -1.218 . . . . 0.0 108.088 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.69 121.2 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.376 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 63.8 m-20 -91.32 155.7 18.32 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.75 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 12.6 t80 -45.67 -52.9 22.02 Favored Pre-proline 0 C--N 1.3 -1.579 0 O-C-N 121.437 -0.789 . . . . 0.0 112.048 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -59.56 -33.26 96.97 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.898 1.356 . . . . 0.0 111.419 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.59 -43.36 94.09 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -61.66 -45.17 95.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.65 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.26 -40.5 82.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.476 -0.765 . . . . 0.0 109.977 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 109.495 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.3 -41.71 93.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.872 -1.142 . . . . 0.0 110.303 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.71 -24.33 49.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.933 -1.104 . . . . 0.0 108.946 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' A' ' 80' ' ' ASP . 55.8 ttp180 -53.48 -21.76 6.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.317 -0.865 . . . . 0.0 109.278 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 27.7 ttpp -58.31 -42.49 86.79 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.35 -41.58 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.049 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -73.73 -20.12 60.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 109.233 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 68.1 m-20 54.39 35.39 22.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.556 -0.715 . . . . 0.0 110.603 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.8 m -70.12 -41.57 73.78 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.852 -1.155 . . . . 0.0 109.267 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' A' ' 74' ' ' ARG . 97.0 m-20 -109.2 -15.07 14.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 109.271 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -49.04 -36.55 18.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.29 -38.71 90.41 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.884 -1.135 . . . . 0.0 109.011 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.81 -46.08 90.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.475 -0.766 . . . . 0.0 111.68 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.72 -25.22 65.55 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.558 -1.339 . . . . 0.0 111.564 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mt -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.135 -0.978 . . . . 0.0 108.946 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -68.51 -39.65 81.16 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.542 -1.349 . . . . 0.0 110.951 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.06 -37.53 78.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.779 -1.2 . . . . 0.0 110.184 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.12 62.97 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.155 -0.966 . . . . 0.0 109.578 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.2 t80 -57.58 -39.17 76.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.029 -1.044 . . . . 0.0 108.411 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -63.36 -40.6 97.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 110.457 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.39 -41.93 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.278 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -71.45 -40.15 70.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.206 -0.934 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -82.09 85.71 6.71 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.96 -1.088 . . . . 0.0 110.302 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.72 -43.55 93.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.52 -0.738 . . . . 0.0 112.018 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.1 p-10 -69.13 -27.83 65.92 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.749 -1.219 . . . . 0.0 111.511 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.4 16.06 80.07 Favored Glycine 0 N--CA 1.488 2.155 0 C-N-CA 119.412 -1.375 . . . . 0.0 110.256 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.553 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 48.0 p-10 -74.58 -4.5 37.4 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.782 -1.422 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.31 -5.22 84.27 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.553 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.4 m-85 -132.68 136.96 46.76 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.59 130.92 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.336 -1.477 . . . . 0.0 109.732 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -102.01 165.37 11.21 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.333 -0.854 . . . . 0.0 109.986 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.16 94.05 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.386 -0.821 . . . . 0.0 112.872 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.54 84.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 119.951 -1.718 . . . . 0.0 109.551 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 78.4 mt-10 -62.71 -40.7 97.97 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.221 -0.924 . . . . 0.0 111.961 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 109' ' ' MET . 4.4 tt -65.9 -37.21 85.5 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.952 -1.093 . . . . 0.0 111.235 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -67.29 -35.71 80.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.825 -1.172 . . . . 0.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -57.27 -58.29 8.87 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 121.324 -0.86 . . . . 0.0 113.024 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -39.28 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.8 mtp -62.63 -38.71 91.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 110.342 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.3 m -65.84 -40.56 91.86 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.233 -0.917 . . . . 0.0 110.643 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.0 -21.7 66.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.035 -1.04 . . . . 0.0 110.488 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.76 10.67 38.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.66 19.59 78.99 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.99 -1.1 . . . . 0.0 110.374 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -111.85 143.65 42.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.493 -1.004 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -157.81 132.61 8.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.871 . . . . 0.0 109.828 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.46 -171.86 2.12 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -100.82 162.22 13.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.159 -0.963 . . . . 0.0 109.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.53 -39.56 84.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 110.065 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.19 -41.79 97.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.066 -1.021 . . . . 0.0 109.048 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.71 -43.68 95.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.894 . . . . 0.0 109.931 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.08 -36.5 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.59 -43.63 97.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.084 -1.01 . . . . 0.0 109.994 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.21 -38.42 89.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.4 mtt -61.03 -40.87 95.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 109.726 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.33 -43.7 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.037 -1.039 . . . . 0.0 108.576 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.51 -45.37 94.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.094 -1.004 . . . . 0.0 111.044 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.06 -38.9 89.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.964 -1.085 . . . . 0.0 111.25 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 -1.12 57.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.985 -1.072 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.53 82.0 5.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.897 -1.127 . . . . 0.0 110.49 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -45.69 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p-10 -76.0 -25.69 55.99 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.926 -1.109 . . . . 0.0 108.959 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.32 20.65 60.06 Favored Glycine 0 N--CA 1.482 1.74 0 C-N-CA 119.342 -1.409 . . . . 0.0 109.733 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 53.9 p-10 -81.06 -5.25 57.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -1.196 . . . . 0.0 110.146 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.1 83.38 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.758 -1.211 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -137.42 157.95 45.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 108.46 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.43 124.26 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.042 -1.036 . . . . 0.0 109.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.635 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 178.79 4.38 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.639 0.733 . . . . 0.0 109.891 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.0 m-85 -58.41 -40.34 82.2 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.33 -51.76 68.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.439 -0.788 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 90.9 mt-10 -65.77 -39.8 91.38 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 120.84 -1.163 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.57 -49.11 77.99 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.689 -0.632 . . . . 0.0 110.356 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -72.19 -44.46 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 O-C-N 119.969 -1.707 . . . . 0.0 108.609 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -62.32 -40.21 95.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.332 -0.855 . . . . 0.0 110.213 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.6 ttt . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.365 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -108.53 156.67 19.23 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.567 0.699 . . . . 0.0 110.674 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.91 -39.56 90.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.951 -1.093 . . . . 0.0 110.147 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.31 -40.37 93.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.759 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.85 -38.84 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.701 -1.249 . . . . 0.0 109.76 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.98 71.16 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.832 -1.167 . . . . 0.0 110.003 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.88 -1.137 . . . . 0.0 110.07 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -86.94 -18.71 30.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.875 -1.141 . . . . 0.0 109.713 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -42.81 96.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.822 -1.174 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -43.27 97.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.948 -1.095 . . . . 0.0 108.948 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.38 80.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.242 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.76 -45.9 85.28 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.301 -0.875 . . . . 0.0 111.296 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.69 -21.82 66.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.906 -1.121 . . . . 0.0 111.636 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -41.15 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.59 -1.319 . . . . 0.0 110.107 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.03 -37.23 75.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.104 -0.998 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 53.4 t0 -82.81 82.2 8.22 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.696 -1.253 . . . . 0.0 109.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.68 -24.63 67.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.231 -0.918 . . . . 0.0 109.756 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.21 -30.0 71.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.0 110.455 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.1 5.88 87.3 Favored Glycine 0 N--CA 1.495 2.594 0 O-C-N 120.325 -1.484 . . . . 0.0 110.101 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -88.33 3.6 49.15 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.382 -1.069 . . . . 0.0 110.04 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.57 87.52 Favored Glycine 0 N--CA 1.489 2.174 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.246 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.19 151.33 49.61 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -1.129 . . . . 0.0 109.07 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.61 129.28 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 74.7 p -105.51 157.0 17.68 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.823 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.8 p -54.6 -35.34 63.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.352 -0.842 . . . . 0.0 110.192 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -66.46 -41.03 89.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.196 -0.94 . . . . 0.0 109.959 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 39.2 mt-10 -65.89 -41.8 91.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.0 111.594 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.56 5.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.988 -1.07 . . . . 0.0 110.451 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.76 -40.18 96.29 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.01 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -60.11 -46.61 89.05 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.064 -1.257 . . . . 0.0 109.546 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.98 -40.03 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.772 -1.205 . . . . 0.0 109.61 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.6 ttp -64.56 -34.85 79.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.758 -1.214 . . . . 0.0 108.884 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.64 -34.18 69.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -0.798 . . . . 0.0 109.525 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -56.64 -35.74 68.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.145 -0.972 . . . . 0.0 109.558 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 22.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.017 -1.052 . . . . 0.0 108.861 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.589 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.09 42.77 91.7 Favored Glycine 0 N--CA 1.485 1.931 0 O-C-N 121.085 -1.009 . . . . 0.0 110.773 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -115.72 154.03 30.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.998 . . . . 0.0 109.649 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -141.76 69.41 24.79 Favored Pre-proline 0 C--N 1.295 -1.784 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.04 161.78 35.28 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.762 2.308 . . . . 0.0 112.607 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.6 p -104.21 166.56 10.33 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.706 0.765 . . . . 0.0 109.814 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.22 -45.0 92.27 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.721 -0.612 . . . . 0.0 110.262 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.33 -39.47 93.17 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.03 -1.044 . . . . 0.0 110.186 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.5 -46.04 87.93 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.812 -1.18 . . . . 0.0 109.939 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.94 -37.53 84.48 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.4 -0.812 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -59.29 -46.48 88.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.913 -1.117 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.96 -44.44 94.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.136 -0.977 . . . . 0.0 110.393 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mtp -58.78 -57.14 14.32 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.92 -1.112 . . . . 0.0 110.658 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.95 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 110.295 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -58.08 -36.78 73.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.373 -0.829 . . . . 0.0 110.639 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.99 -18.78 59.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 111.763 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.8 p -132.35 26.19 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.049 -1.032 . . . . 0.0 111.46 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -89.77 100.26 13.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.71 -1.244 . . . . 0.0 108.609 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.15 -22.88 18.18 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.067 -1.021 . . . . 0.0 110.463 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 22.9 p30 -90.84 -10.67 41.87 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.989 -1.069 . . . . 0.0 109.15 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.69 24.57 69.78 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.527 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.9 p30 -95.9 1.04 52.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.329 -1.1 . . . . 0.0 110.115 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.04 20.26 76.18 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.032 -1.042 . . . . 0.0 110.511 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.421 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.6 160.93 39.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.13 -1.218 . . . . 0.0 108.082 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.9 mt -100.4 121.41 51.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.4 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.5 m-20 -91.22 155.18 18.77 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.905 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.7 t80 -45.03 -52.72 18.57 Favored Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 111.958 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.27 -34.43 98.03 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 CA-C-N 120.843 1.337 . . . . 0.0 111.415 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.25 -43.63 94.29 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.72 -45.3 94.55 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 0.0 110.608 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.66 -39.45 77.1 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.802 0.811 . . . . 0.0 109.779 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.79 -42.68 94.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.832 -0.543 . . . . 0.0 109.764 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.26 -41.26 97.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.97 . . . . 0.0 109.377 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.92 -42.35 93.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.044 -1.035 . . . . 0.0 110.378 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.88 -24.12 48.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.773 -1.204 . . . . 0.0 109.008 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -54.94 -21.65 12.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.846 . . . . 0.0 109.796 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -58.31 -42.45 86.72 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.4 OUTLIER -61.73 -39.77 92.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 109.267 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.93 -39.31 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.117 -0.989 . . . . 0.0 109.58 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.436 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 15.6 t0 67.39 55.78 0.64 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.849 -0.532 . . . . 0.0 109.721 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -77.2 0.56 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 81' ' ' SER . 58.4 p30 -81.47 -14.12 57.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.869 -1.144 . . . . 0.0 108.613 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 95.9 p -48.35 -29.25 3.76 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.74 -41.14 99.05 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.068 -1.02 . . . . 0.0 108.286 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 80' ' ' ASP . 88.3 tt0 -63.91 -46.11 86.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.51 -0.744 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 20.1 mp0 -68.77 -36.87 78.86 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.096 -1.002 . . . . 0.0 110.401 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.97 -42.78 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.131 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.95 -37.34 85.76 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 120.838 -1.164 . . . . 0.0 109.777 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.44 -38.93 93.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.963 -1.086 . . . . 0.0 109.626 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -28.16 38.09 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.12 -0.987 . . . . 0.0 109.09 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -56.28 -39.22 72.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.49 -36.77 83.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.537 -0.727 . . . . 0.0 109.853 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.7 -39.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.765 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.12 -40.21 71.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.197 -0.94 . . . . 0.0 109.787 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 29.0 t0 -82.57 82.21 8.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.018 -1.051 . . . . 0.0 110.095 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.92 -42.5 97.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.369 -0.832 . . . . 0.0 111.346 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.7 p-10 -68.51 -26.62 65.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.92 -1.112 . . . . 0.0 110.905 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.81 16.37 80.82 Favored Glycine 0 N--CA 1.488 2.103 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.07 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.6 p-10 -70.46 -5.37 28.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.896 -1.355 . . . . 0.0 108.795 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.48 2.18 82.73 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 60.1 m-85 -137.92 144.68 41.4 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -96.26 129.07 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.631 -1.293 . . . . 0.0 109.596 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.0 p -106.29 166.01 10.84 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.02 0.914 . . . . 0.0 110.633 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.95 93.12 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.881 -0.512 . . . . 0.0 111.88 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.77 88.56 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 108.748 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.18 -41.14 96.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.158 -0.964 . . . . 0.0 109.689 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.427 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.14 -41.16 90.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.748 . . . . 0.0 110.476 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.29 -39.41 90.32 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 109.937 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.28 -61.89 1.96 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.86 -40.79 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.19 -0.944 . . . . 0.0 109.529 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.427 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.5 mtp -63.18 -38.17 90.13 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.926 -1.109 . . . . 0.0 109.951 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.847 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 96.2 m -65.39 -40.35 93.33 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.256 -0.903 . . . . 0.0 110.991 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -64.58 -22.19 66.9 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.191 -0.943 . . . . 0.0 111.638 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.07 8.02 34.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.808 -1.183 . . . . 0.0 110.218 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.97 84.72 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -105.44 137.51 43.14 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.555 -0.967 . . . . 0.0 109.101 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.847 ' NZ ' HG23 ' A' ' 110' ' ' THR . 68.6 mttm -141.94 120.27 12.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.411 -0.806 . . . . 0.0 109.982 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.86 -177.78 3.22 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.4 p -101.28 162.32 12.98 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.251 -0.905 . . . . 0.0 109.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -38.83 79.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.12 -0.988 . . . . 0.0 109.922 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.1 -39.9 94.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.1 -1.0 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.23 -44.43 91.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.0 109.808 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.46 -37.33 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.66 -44.12 96.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.07 -1.019 . . . . 0.0 109.171 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.86 -38.24 90.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttt -58.54 -40.65 83.57 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 120.931 -1.106 . . . . 0.0 108.789 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.36 -44.68 97.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.397 -0.814 . . . . 0.0 109.361 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -61.26 -45.63 93.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.037 -1.04 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.33 -38.56 87.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.04 -1.038 . . . . 0.0 111.07 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.34 5.95 35.97 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.089 -1.007 . . . . 0.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -83.35 77.88 9.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.892 -1.13 . . . . 0.0 110.72 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -46.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.938 -1.101 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.2 p-10 -76.15 -25.9 55.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.005 -1.059 . . . . 0.0 109.222 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.53 19.71 61.5 Favored Glycine 0 N--CA 1.482 1.722 0 C-N-CA 119.232 -1.461 . . . . 0.0 109.913 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.0 p-10 -81.08 -8.52 59.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.11 -1.229 . . . . 0.0 110.515 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.46 -4.43 84.16 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.336 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.02 163.68 27.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.198 -1.178 . . . . 0.0 108.536 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -98.2 123.94 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.006 . . . . 0.0 108.412 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.33 -177.39 3.31 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.862 0.839 . . . . 0.0 110.613 -178.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.7 m-85 -59.09 -41.33 87.81 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.374 0.607 . . . . 0.0 109.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.22 -49.41 77.71 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.365 -0.834 . . . . 0.0 109.497 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' MET . 85.3 mt-10 -70.44 -41.0 73.44 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.449 -0.782 . . . . 0.0 109.704 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.75 -46.67 88.59 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.792 -0.568 . . . . 0.0 111.162 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.42 -45.27 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.058 -1.651 . . . . 0.0 107.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -73.8 -20.47 60.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.092 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.1 tmt? . . . . . 0 C--N 1.297 -1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.802 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.7 p -108.72 156.91 19.05 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.557 0.694 . . . . 0.0 110.548 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.99 -39.71 94.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.529 -0.732 . . . . 0.0 110.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 41.6 mp0 -61.5 -38.67 88.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -61.25 -41.2 96.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.012 -1.055 . . . . 0.0 110.256 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.48 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.73 -1.232 . . . . 0.0 109.705 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.63 75.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.872 -1.142 . . . . 0.0 109.862 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.33 -43.11 99.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 0.0 110.395 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -87.18 -18.84 29.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.2 -43.08 96.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.854 -1.154 . . . . 0.0 109.15 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.47 -45.91 92.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.964 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.55 80.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 109.374 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -56.99 -45.39 83.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 0.0 111.139 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -63.23 -21.76 66.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.112 . . . . 0.0 111.858 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -42.08 87.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.404 -1.435 . . . . 0.0 110.032 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -69.8 -37.34 76.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.044 -1.035 . . . . 0.0 109.408 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 54.3 t0 -83.16 81.22 8.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.731 -1.231 . . . . 0.0 109.59 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.23 -22.95 66.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.22 -0.925 . . . . 0.0 109.851 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.02 -29.55 70.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.157 -0.964 . . . . 0.0 110.248 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.03 4.72 88.92 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 120.384 -1.447 . . . . 0.0 110.174 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.3 p30 -87.11 2.15 50.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.428 -1.042 . . . . 0.0 110.009 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.27 9.26 86.77 Favored Glycine 0 N--CA 1.49 2.249 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.442 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 73.4 p -136.38 150.48 48.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.195 -1.179 . . . . 0.0 109.116 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.34 129.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.425 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 66.7 p -107.91 157.27 18.34 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.238 0.542 . . . . 0.0 109.624 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -55.17 -34.59 63.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -65.82 -41.32 91.97 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.92 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 41.9 mt-10 -65.88 -42.53 90.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.453 -0.779 . . . . 0.0 111.722 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -55.32 8.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.013 -1.054 . . . . 0.0 110.417 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.16 96.1 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.319 -1.42 . . . . 0.0 109.871 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.9 m -59.73 -46.35 89.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.91 -1.347 . . . . 0.0 109.409 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.74 -39.92 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.643 -1.286 . . . . 0.0 109.738 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.2 ttp -64.94 -34.78 79.22 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.635 -1.291 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -57.48 -34.48 69.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.314 -0.866 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.622 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -54.29 -33.42 58.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 109.072 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 22.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.165 -0.959 . . . . 0.0 108.763 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 61.17 47.2 92.31 Favored Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -124.29 163.7 21.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.59 -0.947 . . . . 0.0 110.604 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 13.0 p30 -143.29 76.39 16.36 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.43 162.52 39.96 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.633 2.222 . . . . 0.0 112.923 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -105.67 168.39 9.14 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.803 0.811 . . . . 0.0 110.371 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -59.94 -42.91 95.02 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.804 -0.56 . . . . 0.0 110.208 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 110.12 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.13 -46.9 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.777 -1.202 . . . . 0.0 110.153 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.62 -40.41 92.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.135 -0.978 . . . . 0.0 109.685 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -63.11 -46.84 85.42 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.929 -1.107 . . . . 0.0 108.55 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.467 -0.77 . . . . 0.0 110.817 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -62.71 -51.89 65.4 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.012 -1.055 . . . . 0.0 110.628 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -37.77 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.951 -1.093 . . . . 0.0 110.663 -178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -56.68 -33.88 66.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.412 -0.805 . . . . 0.0 110.055 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.72 -19.22 48.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 111.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -133.65 25.32 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 O-C-N 121.076 -1.015 . . . . 0.0 111.635 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 68.3 t0 -90.29 103.45 16.13 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.609 -1.307 . . . . 0.0 108.712 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.32 -24.2 17.5 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.108 -0.995 . . . . 0.0 110.636 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.7 p30 -88.81 -9.54 51.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.88 -1.138 . . . . 0.0 109.02 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.35 24.17 68.91 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.64 1.03 55.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.413 -1.051 . . . . 0.0 109.796 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.11 18.75 76.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -141.9 161.2 38.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.17 -1.194 . . . . 0.0 107.895 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.1 mt -100.92 121.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 49.3 m-20 -89.45 153.78 20.56 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.051 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -48.06 -46.35 64.98 Favored Pre-proline 0 C--N 1.3 -1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 111.716 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.64 -37.21 81.22 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 CA-C-N 121.176 1.456 . . . . 0.0 110.903 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.95 -43.83 98.03 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.1 -43.85 98.25 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.569 0.699 . . . . 0.0 109.958 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.03 -40.74 85.95 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.819 0.818 . . . . 0.0 109.927 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -62.0 -45.08 95.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.743 -0.598 . . . . 0.0 109.438 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.39 -40.91 96.08 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.205 -0.935 . . . . 0.0 109.587 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.4 mmm -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.071 -1.018 . . . . 0.0 110.726 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.58 49.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.962 -1.086 . . . . 0.0 108.742 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.52 -26.63 61.65 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.591 -0.693 . . . . 0.0 109.511 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.29 -41.69 89.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -38.71 90.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 109.206 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -70.71 -16.11 62.76 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.005 -1.059 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 50.1 t0 56.62 53.16 8.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.301 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -67.97 0.82 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.199 -0.938 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.8 -17.07 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.886 -1.134 . . . . 0.0 108.818 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.444 ' OG ' ' OD1' ' A' ' 78' ' ' ASP . 89.8 p -49.23 -30.05 6.55 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -63.98 -36.84 85.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.989 -1.069 . . . . 0.0 109.337 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.95 -42.53 94.24 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.998 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.75 -24.68 62.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.779 -1.201 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.33 -47.48 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.07 -1.019 . . . . 0.0 108.981 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.49 -38.44 87.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.576 -1.327 . . . . 0.0 110.327 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.84 -36.88 84.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.006 -1.059 . . . . 0.0 109.832 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.31 63.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.201 -0.937 . . . . 0.0 109.845 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 28.5 t80 -57.74 -39.58 77.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.081 -1.012 . . . . 0.0 108.905 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -64.3 -40.24 95.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.391 -0.818 . . . . 0.0 110.578 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.57 -39.6 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 109.794 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.24 -41.97 66.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.422 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.65 86.39 6.99 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.867 -1.145 . . . . 0.0 110.25 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -77.12 -22.12 53.14 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.077 -1.015 . . . . 0.0 111.035 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 98.0 m-20 -68.52 -29.42 68.01 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.857 -1.152 . . . . 0.0 110.61 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.44 88.12 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.6 p-10 -68.83 -8.32 42.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 109.512 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.71 2.53 86.7 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.4 m-85 -135.81 144.96 46.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.8 mt -96.44 128.23 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 109.796 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -106.05 164.88 11.63 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.206 -0.934 . . . . 0.0 110.425 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.48 90.29 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.873 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.1 84.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.27 -1.518 . . . . 0.0 108.472 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.7 mt-10 -60.85 -41.28 95.55 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.108 -0.995 . . . . 0.0 109.754 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.83 -42.11 86.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 110.881 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.1 -38.63 86.99 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.636 -1.29 . . . . 0.0 110.07 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -64.65 -62.39 1.61 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.325 -0.859 . . . . 0.0 112.996 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.34 -40.25 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.027 -1.046 . . . . 0.0 109.491 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.417 ' SD ' HD23 ' A' ' 105' ' ' LEU . 96.9 mtp -62.75 -38.58 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 110.046 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -65.58 -40.29 92.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -0.929 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.9 -22.52 66.96 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.069 -1.019 . . . . 0.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.3 mt -91.86 7.04 43.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.739 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.49 12.75 82.64 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -102.17 127.95 48.89 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.944 . . . . 0.0 109.168 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -137.8 118.88 14.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.518 -0.739 . . . . 0.0 109.418 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -113.18 -175.63 2.71 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -101.3 159.36 15.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.1 p-10 -57.36 -36.43 71.2 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.239 -0.913 . . . . 0.0 110.085 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.533 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -63.7 -39.84 95.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.25 -44.99 90.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.227 -0.92 . . . . 0.0 109.809 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.79 -37.85 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.06 -44.79 96.86 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.209 -0.932 . . . . 0.0 109.594 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -37.64 88.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.941 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 ttt -57.69 -40.14 78.76 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 120.942 -1.099 . . . . 0.0 108.478 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.31 -41.52 89.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.61 -42.8 98.18 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.387 -0.821 . . . . 0.0 111.315 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.42 -40.01 77.52 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.918 -1.114 . . . . 0.0 111.161 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.07 27.26 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.382 -0.824 . . . . 0.0 111.038 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.21 76.44 8.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.936 -1.103 . . . . 0.0 110.442 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.39 -47.3 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.977 -1.077 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.1 p-10 -75.94 -26.0 56.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.841 -1.162 . . . . 0.0 108.947 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.66 20.0 62.62 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.806 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 54.6 p-10 -80.22 -8.37 59.41 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.153 -1.204 . . . . 0.0 110.231 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.38 -4.61 85.39 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.363 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.1 mp0 -130.72 164.43 25.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -1.188 . . . . 0.0 108.71 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.5 124.03 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.28 -176.82 3.16 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.941 0.877 . . . . 0.0 110.607 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.594 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 9.5 m-85 -59.52 -41.3 89.63 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.59 -49.83 75.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.329 -0.857 . . . . 0.0 109.558 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' MET . 93.5 mt-10 -69.02 -41.89 77.13 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.283 -0.885 . . . . 0.0 109.736 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.98 -47.93 84.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.636 -0.665 . . . . 0.0 111.176 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.245 -1.534 . . . . 0.0 107.936 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -74.52 -21.92 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 111.124 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.5 tmt? . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.165 -0.959 . . . . 0.0 110.957 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p -108.34 157.28 18.52 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.664 0.745 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.74 -38.2 90.23 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.716 -0.615 . . . . 0.0 109.656 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.05 -35.18 77.83 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.301 -0.875 . . . . 0.0 110.743 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -59.07 -38.88 80.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.836 -1.165 . . . . 0.0 109.833 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -60.33 -38.14 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.587 -1.32 . . . . 0.0 108.448 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.93 74.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.33 -42.76 96.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.887 -1.133 . . . . 0.0 109.832 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.07 -13.83 46.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.063 -1.023 . . . . 0.0 108.869 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.99 -44.38 92.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.861 -1.149 . . . . 0.0 109.527 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.07 -46.0 89.37 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.296 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.69 74.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.486 -0.759 . . . . 0.0 110.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -57.49 -47.4 82.0 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.037 -1.039 . . . . 0.0 111.451 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -59.69 -37.06 77.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.852 -1.155 . . . . 0.0 111.389 -177.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -39.77 71.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.77 -1.206 . . . . 0.0 110.382 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -67.49 -39.98 85.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.622 -1.298 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -83.5 85.9 7.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.669 -1.269 . . . . 0.0 109.557 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.66 -34.84 76.43 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -23.98 67.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.107 . . . . 0.0 110.004 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 18.22 75.9 Favored Glycine 0 N--CA 1.497 2.749 0 O-C-N 120.553 -1.342 . . . . 0.0 110.113 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -91.45 4.79 51.65 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.306 -1.114 . . . . 0.0 109.863 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 8.21 87.91 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -135.75 148.22 48.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.335 -1.097 . . . . 0.0 109.143 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.8 mt -101.46 130.98 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -108.16 157.52 18.23 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.303 0.573 . . . . 0.0 110.221 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 p -55.26 -36.35 65.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.329 -0.857 . . . . 0.0 110.233 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -64.73 -41.85 95.63 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.036 -1.04 . . . . 0.0 109.729 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -41.08 91.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 111.638 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -57.66 4.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.888 -1.133 . . . . 0.0 110.768 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.21 98.1 Favored Glycine 0 N--CA 1.485 1.944 0 C-N-CA 119.361 -1.4 . . . . 0.0 110.28 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -60.46 -46.64 89.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.978 -1.307 . . . . 0.0 109.422 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.57 -39.33 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 120.741 -1.224 . . . . 0.0 109.543 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.99 -34.06 77.54 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.901 -1.124 . . . . 0.0 108.81 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -58.02 -34.53 70.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.39 -0.819 . . . . 0.0 109.391 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.2 t -55.81 -37.26 68.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 109.362 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 21.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.173 -0.954 . . . . 0.0 108.925 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.51 39.96 94.15 Favored Glycine 0 N--CA 1.483 1.806 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -112.38 154.66 25.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.565 -0.962 . . . . 0.0 109.621 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.9 p30 -141.64 69.46 25.42 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.548 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.61 160.85 37.73 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.739 2.292 . . . . 0.0 112.716 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.1 p -102.97 167.73 9.65 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.714 0.768 . . . . 0.0 109.764 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -59.98 -43.6 95.01 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.005 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.56 94.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.16 -0.962 . . . . 0.0 110.067 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.83 -45.85 87.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.137 . . . . 0.0 109.916 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.14 -38.62 85.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.61 -46.05 91.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.898 -1.126 . . . . 0.0 109.624 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -61.27 -43.78 98.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 110.547 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.46 -58.94 6.31 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -37.44 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.301 -0.874 . . . . 0.0 110.517 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.82 -36.7 72.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.26 -0.9 . . . . 0.0 110.76 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.68 -21.35 64.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.928 -1.108 . . . . 0.0 111.649 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.2 p -125.62 21.51 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.099 -1.001 . . . . 0.0 111.19 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 68.0 t0 -88.45 100.67 13.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.805 -1.184 . . . . 0.0 108.807 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -24.25 17.43 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.254 -0.904 . . . . 0.0 110.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.515 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 28.5 p30 -91.62 -8.14 48.1 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.815 -1.178 . . . . 0.0 109.208 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.8 25.01 68.74 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.515 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.6 p30 -94.79 0.64 55.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.263 -1.139 . . . . 0.0 109.941 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.4 20.35 75.23 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -141.0 162.37 35.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -1.17 . . . . 0.0 108.135 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -102.33 123.49 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.835 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -98.87 160.8 14.01 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.262 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -52.12 16.0 Favored Pre-proline 0 C--N 1.301 -1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 111.548 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.61 -38.49 71.91 Favored 'Trans proline' 0 N--CA 1.488 1.201 0 CA-C-N 119.907 1.003 . . . . 0.0 111.147 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.39 -45.11 92.61 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.5 -47.67 80.76 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.502 0.668 . . . . 0.0 111.599 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.04 -38.02 81.54 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.973 0.892 . . . . 0.0 109.464 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -64.33 -42.74 96.14 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.6 ttp -64.64 -42.31 95.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.99 -1.069 . . . . 0.0 109.486 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.51 -40.92 93.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 110.401 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.57 50.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.177 . . . . 0.0 109.213 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.02 -20.11 22.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.39 -0.819 . . . . 0.0 110.287 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.6 -43.71 84.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.196 -0.94 . . . . 0.0 108.581 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.42 90.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.375 -0.828 . . . . 0.0 109.099 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -70.42 -24.63 62.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.001 -1.062 . . . . 0.0 109.482 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t0 58.05 55.36 5.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.286 -0.884 . . . . 0.0 110.106 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -69.77 0.74 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.139 -0.975 . . . . 0.0 109.784 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -87.03 -17.86 31.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.869 -1.144 . . . . 0.0 108.805 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -49.32 -33.74 14.0 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.13 -43.5 98.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.945 -1.097 . . . . 0.0 108.828 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.62 -39.85 91.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.42 -35.7 71.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.31 -42.74 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.61 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -67.42 -37.62 83.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.04 -39.31 93.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.969 -1.082 . . . . 0.0 109.885 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.99 -26.92 28.45 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.1 t80 -55.57 -39.81 71.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -64.99 -39.84 94.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.454 -0.779 . . . . 0.0 110.538 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -39.44 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -71.81 -40.24 69.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -83.59 82.24 8.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.967 -1.083 . . . . 0.0 110.524 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.42 -39.17 93.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.594 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.7 m-20 -67.42 -28.97 68.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.161 -0.962 . . . . 0.0 110.401 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 13.03 83.68 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 16.4 p-10 -68.83 -9.25 50.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.132 -1.217 . . . . 0.0 109.468 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.77 3.05 71.41 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.424 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.6 m-85 -139.48 144.04 37.79 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.9 mp -96.63 129.47 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.013 -1.055 . . . . 0.0 109.486 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.3 p -106.04 165.7 11.03 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.97 0.89 . . . . 0.0 110.596 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.63 92.1 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.825 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.62 87.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.32 -1.488 . . . . 0.0 108.699 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 84.2 mt-10 -61.21 -40.94 95.86 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.442 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.41 -40.02 92.86 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.434 -0.791 . . . . 0.0 110.426 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -62.07 -38.88 90.47 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.623 -1.298 . . . . 0.0 110.016 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -64.69 -61.19 2.34 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.277 -0.89 . . . . 0.0 112.484 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.49 -41.21 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.136 -0.978 . . . . 0.0 109.729 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.442 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.4 mtp -63.36 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.944 -1.097 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -65.86 -40.29 91.54 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.175 -0.953 . . . . 0.0 111.011 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.42 -23.21 67.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.128 -0.982 . . . . 0.0 111.655 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.9 mt -87.35 8.86 22.57 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.676 -1.265 . . . . 0.0 110.1 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.33 11.1 84.63 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -105.32 138.81 40.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.626 -0.926 . . . . 0.0 109.091 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -143.58 120.4 11.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -0.797 . . . . 0.0 109.754 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.8 -177.1 3.05 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -100.79 162.14 13.11 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.302 -0.874 . . . . 0.0 109.034 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.45 -40.22 82.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.149 -0.969 . . . . 0.0 110.127 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.68 -39.8 92.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.13 -43.84 94.05 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -71.69 -37.61 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -60.47 -45.02 95.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.121 -0.987 . . . . 0.0 109.013 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.45 -36.68 84.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.87 -41.45 82.51 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.979 -1.076 . . . . 0.0 108.483 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.83 -41.51 92.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -59.8 -46.44 89.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 0.0 110.614 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.39 -39.03 85.59 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.097 -1.002 . . . . 0.0 111.644 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.22 -7.91 59.21 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.701 -1.249 . . . . 0.0 110.458 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.12 92.45 5.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.986 -1.071 . . . . 0.0 110.428 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.86 -45.13 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.285 -0.885 . . . . 0.0 111.722 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p30 -94.32 -25.84 16.82 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.935 -1.103 . . . . 0.0 110.282 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 110.82 -113.25 3.42 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 107.559 -2.216 . . . . 0.0 107.559 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER 62.24 -20.06 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.056 -1.261 . . . . 0.0 110.283 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 81.17 3.86 90.59 Favored Glycine 0 N--CA 1.494 2.502 0 O-C-N 120.783 -1.198 . . . . 0.0 110.755 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.575 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 40.0 mt-30 -142.11 -178.56 5.77 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.062 -1.258 . . . . 0.0 109.317 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.07 126.58 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.82 176.61 5.08 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.987 0.898 . . . . 0.0 110.477 -178.636 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 5.7 m-85 -58.21 -38.81 77.52 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.19 -49.34 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.486 -0.759 . . . . 0.0 109.81 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.89 -39.81 76.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.357 -0.839 . . . . 0.0 109.207 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.66 -46.64 84.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.897 -0.502 . . . . 0.0 110.798 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.7 -43.44 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 O-C-N 119.939 -1.726 . . . . 0.0 108.039 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.02 -40.35 97.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.486 -0.758 . . . . 0.0 110.262 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 110.45 -179.061 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.4 tp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -108.39 155.74 20.22 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.689 0.756 . . . . 0.0 110.639 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -66.6 -40.8 89.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.604 -0.685 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -63.33 -38.72 92.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.164 -0.96 . . . . 0.0 110.455 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -39.88 91.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.059 -1.026 . . . . 0.0 109.944 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.83 -38.83 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.78 73.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.922 -1.111 . . . . 0.0 109.526 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.746 -1.221 . . . . 0.0 110.406 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.68 -21.23 28.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.78 -43.35 99.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.694 -1.254 . . . . 0.0 108.942 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.43 -46.31 89.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.12 86.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.944 . . . . 0.0 109.337 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.19 -45.49 87.49 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 111.054 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -59.76 -37.01 77.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.003 -1.061 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -41.46 68.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.676 -1.265 . . . . 0.0 110.207 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -67.8 -38.07 82.84 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.753 -1.217 . . . . 0.0 109.62 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -84.5 84.36 7.68 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.703 -1.248 . . . . 0.0 110.077 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.81 -26.77 68.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.125 -0.984 . . . . 0.0 110.391 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.15 -26.99 69.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.938 -1.101 . . . . 0.0 109.92 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.29 13.61 79.64 Favored Glycine 0 N--CA 1.496 2.672 0 O-C-N 120.529 -1.357 . . . . 0.0 110.357 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -93.92 5.83 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.298 -1.119 . . . . 0.0 109.84 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.78 11.99 84.91 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -137.2 148.5 46.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -1.105 . . . . 0.0 109.026 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -105.32 130.44 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -106.25 156.54 18.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -54.67 -36.33 64.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.261 -0.899 . . . . 0.0 110.201 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -65.46 -41.98 92.82 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.978 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.611 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -56.14 6.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.54 97.11 Favored Glycine 0 N--CA 1.486 2.027 0 C-N-CA 119.191 -1.48 . . . . 0.0 109.868 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 93.9 m -59.23 -47.34 85.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.756 -1.438 . . . . 0.0 109.518 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.76 -38.24 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.67 -1.269 . . . . 0.0 109.388 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.9 ttp -65.6 -35.89 82.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.019 -1.051 . . . . 0.0 109.217 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' NH2' ' N ' ' A' ' 34' ' ' THR . 68.1 mtm-85 -57.21 -30.65 64.74 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.189 -0.945 . . . . 0.0 109.264 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.1 t -56.85 -37.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 18.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.48 43.54 92.2 Favored Glycine 0 N--CA 1.488 2.108 0 O-C-N 121.289 -0.882 . . . . 0.0 111.385 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -113.05 153.92 27.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.353 -1.086 . . . . 0.0 110.038 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -140.0 68.61 35.25 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.65 164.45 25.79 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 123.168 2.578 . . . . 0.0 113.031 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 p -104.02 163.93 12.05 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.705 0.764 . . . . 0.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -59.77 -42.65 93.79 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.011 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.33 93.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.005 . . . . 0.0 110.298 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.11 -46.86 85.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.836 -1.165 . . . . 0.0 110.249 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.98 -36.69 80.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.179 -0.951 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.37 -47.58 84.89 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.942 -1.099 . . . . 0.0 109.882 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' OE2' ' A' ' 54' ' ' GLU . 67.0 t0 -60.0 -43.61 95.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.873 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.8 mtt -63.92 -53.69 46.45 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.127 -0.983 . . . . 0.0 110.67 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -38.83 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.422 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -59.7 -39.63 85.23 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.379 -0.826 . . . . 0.0 111.537 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 50' ' ' ASP . 87.9 mt-10 -61.29 -40.07 92.76 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.036 -1.04 . . . . 0.0 112.255 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.49 3.57 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.812 -1.18 . . . . 0.0 110.474 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -79.41 108.41 12.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.016 -1.053 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.37 -24.66 17.28 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 41.6 p30 -91.71 -5.31 53.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.807 -1.183 . . . . 0.0 109.648 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.88 27.25 66.54 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -92.34 -0.01 57.41 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.182 -1.187 . . . . 0.0 109.696 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.35 15.72 78.91 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.416 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.4 p -141.28 162.77 34.7 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -1.187 . . . . 0.0 108.061 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.56 121.78 54.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 39.0 m-20 -90.35 154.0 20.01 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.781 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -47.51 -47.44 59.48 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.221 -0.924 . . . . 0.0 111.684 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.72 -37.55 86.58 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 CA-C-N 121.02 1.4 . . . . 0.0 110.905 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.31 -44.28 96.87 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.84 -45.07 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.363 0.602 . . . . 0.0 109.973 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.0 -39.37 78.09 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.052 0.93 . . . . 0.0 109.088 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -61.55 -45.51 93.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.85 -40.27 96.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 109.832 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.211 -0.93 . . . . 0.0 111.255 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.78 50.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.838 -1.164 . . . . 0.0 109.692 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 78' ' ' ASP . 26.7 tpt180 -58.43 -33.32 69.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.484 -0.76 . . . . 0.0 110.512 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.93 -46.91 84.29 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 109.122 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.2 -37.97 78.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.931 . . . . 0.0 110.728 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.15 -6.28 48.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.851 -1.156 . . . . 0.0 110.051 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' ARG . 12.9 t0 -170.39 -178.95 2.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.982 -1.074 . . . . 0.0 109.704 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.25 82.61 2.02 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.497 0.665 . . . . 0.0 109.894 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.11 -0.99 57.89 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -77.03 5.98 7.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -57.17 -36.02 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.87 -41.23 97.61 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.36 -37.28 84.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.305 -0.872 . . . . 0.0 109.121 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.67 -47.91 87.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -68.05 -39.77 82.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.663 -1.273 . . . . 0.0 110.454 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -70.96 -37.48 72.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.918 -1.114 . . . . 0.0 110.299 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.75 74.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.351 -0.843 . . . . 0.0 110.727 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.1 t80 -57.43 -39.52 76.43 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.943 -1.098 . . . . 0.0 109.032 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.56 -40.05 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.562 -0.712 . . . . 0.0 110.284 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.87 -40.84 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.206 -0.934 . . . . 0.0 109.502 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.79 -41.81 64.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -0.852 . . . . 0.0 110.104 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 30.5 t0 -81.19 82.67 7.02 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.029 -1.044 . . . . 0.0 110.221 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.78 -42.98 94.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.451 -0.78 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.9 p30 -68.96 -27.01 65.34 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.85 -1.156 . . . . 0.0 110.945 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.86 16.58 80.36 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.449 -1.357 . . . . 0.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.525 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 44.1 p-10 -72.12 -5.31 34.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.958 -1.319 . . . . 0.0 108.953 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 -0.04 82.52 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.664 -1.775 . . . . 0.0 108.664 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 49.8 m-85 -135.66 143.27 45.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.53 128.09 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.605 -1.309 . . . . 0.0 109.427 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 p -105.53 166.75 10.22 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.88 0.848 . . . . 0.0 110.639 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.21 91.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.826 -0.546 . . . . 0.0 111.833 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.16 83.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.366 -1.459 . . . . 0.0 108.483 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -61.67 -40.93 96.68 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 0.0 110.098 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -67.63 -41.31 84.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.425 -0.797 . . . . 0.0 111.369 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -64.09 -37.09 86.19 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.228 -1.545 . . . . 0.0 109.959 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -65.02 -60.6 2.85 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.87 . . . . 0.0 112.651 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.08 -40.19 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.012 -1.055 . . . . 0.0 109.508 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.8 mtp -62.48 -38.6 90.49 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.085 -1.009 . . . . 0.0 110.063 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -65.11 -40.23 94.24 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 110.832 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.36 -22.31 66.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.128 -0.982 . . . . 0.0 111.014 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.57 8.06 36.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.934 -1.104 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.13 14.02 82.28 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -104.42 136.08 44.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.54 -0.976 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -142.47 120.08 11.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.981 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.35 -176.74 2.97 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.5 p -101.2 162.78 12.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.202 -0.937 . . . . 0.0 109.209 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.2 -38.85 80.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.37 -40.12 95.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.076 -1.015 . . . . 0.0 109.418 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.09 -44.25 92.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.131 -0.981 . . . . 0.0 109.779 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.13 -37.87 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.97 -44.96 95.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.12 -38.11 89.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 109.679 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 ttt -58.79 -40.62 84.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.83 -44.01 89.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.261 -0.899 . . . . 0.0 109.252 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.73 -47.46 85.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.697 -1.252 . . . . 0.0 110.768 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.61 -39.91 73.49 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.995 -1.066 . . . . 0.0 112.021 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.75 -18.58 56.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 111.571 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -68.8 97.81 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.929 -1.107 . . . . 0.0 110.757 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.65 -46.51 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.9 p30 -72.16 -24.97 61.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 0.0 108.475 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.573 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 87.19 16.37 60.92 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 52.6 p-10 -80.56 -5.58 56.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.34 -1.094 . . . . 0.0 110.201 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.53 84.7 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.711 -1.233 . . . . 0.0 110.17 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -137.95 156.61 47.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 121.63 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.051 -1.031 . . . . 0.0 108.603 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.74 -177.07 3.26 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.966 0.888 . . . . 0.0 110.309 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.0 m-85 -60.68 -40.49 92.37 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.94 -50.81 72.29 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.342 -0.849 . . . . 0.0 109.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 87.6 mt-10 -68.08 -41.08 82.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.251 -0.906 . . . . 0.0 109.295 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.853 -0.529 . . . . 0.0 111.2 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.4 -39.48 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.288 -1.508 . . . . 0.0 108.664 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.05 -38.64 86.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.618 -0.676 . . . . 0.0 112.361 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.0 mmt . . . . . 0 N--CA 1.501 2.108 0 O-C-N 120.497 -1.377 . . . . 0.0 110.664 -176.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 4' ' ' LEU . 19.0 tp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -108.58 155.75 20.31 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.707 0.765 . . . . 0.0 110.345 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -37.24 84.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.706 -0.621 . . . . 0.0 109.633 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.21 -33.0 74.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.929 . . . . 0.0 109.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -58.33 -39.57 79.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.79 -37.57 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.776 -1.203 . . . . 0.0 108.614 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.11 75.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.952 -1.092 . . . . 0.0 110.481 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.67 -44.61 96.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 110.111 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.66 -13.51 45.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 108.885 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.26 -46.84 87.02 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.883 -1.136 . . . . 0.0 109.48 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -59.81 -47.18 86.74 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.227 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.34 86.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.309 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.44 -46.74 83.24 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.107 -0.996 . . . . 0.0 110.886 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -60.01 -39.42 85.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.038 -1.039 . . . . 0.0 111.238 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -42.04 70.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.729 -1.232 . . . . 0.0 110.489 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.09 -39.53 86.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.597 -1.315 . . . . 0.0 108.98 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 49.9 t0 -85.03 81.27 8.96 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.686 -1.259 . . . . 0.0 109.675 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -64.61 -22.89 67.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.938 . . . . 0.0 109.925 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.39 -30.74 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.102 -0.999 . . . . 0.0 110.465 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.68 5.78 86.49 Favored Glycine 0 N--CA 1.496 2.661 0 O-C-N 120.334 -1.478 . . . . 0.0 110.253 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -87.48 2.2 51.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.26 -1.141 . . . . 0.0 109.824 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.86 7.45 88.56 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.383 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 66.7 p -134.98 148.8 50.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.184 -1.186 . . . . 0.0 108.873 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.6 mt -101.23 130.02 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.8 p -107.31 157.9 17.57 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.437 0.637 . . . . 0.0 109.84 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -56.01 -34.54 65.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.31 -40.52 90.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.041 -1.037 . . . . 0.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 37.0 mt-10 -66.06 -41.15 91.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.699 . . . . 0.0 111.976 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -56.39 6.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.079 . . . . 0.0 110.678 -177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.55 93.9 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.289 -1.434 . . . . 0.0 110.282 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.0 m -59.22 -46.66 87.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.672 -1.487 . . . . 0.0 108.976 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.01 -40.12 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.767 -1.208 . . . . 0.0 110.169 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.5 ttp -64.78 -35.26 80.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.641 -1.287 . . . . 0.0 109.583 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -59.27 -29.19 67.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.159 -0.963 . . . . 0.0 109.403 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -58.01 -34.71 70.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.219 -0.926 . . . . 0.0 108.777 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 21.82 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 108.926 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 41.05 98.17 Favored Glycine 0 N--CA 1.483 1.803 0 O-C-N 120.976 -1.078 . . . . 0.0 110.669 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -119.96 157.13 29.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.601 -0.94 . . . . 0.0 109.373 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -142.27 74.27 20.81 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.512 -0.742 . . . . 0.0 109.823 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.24 162.37 34.01 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.652 2.234 . . . . 0.0 112.912 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -102.07 170.01 8.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.661 0.743 . . . . 0.0 110.113 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -60.1 -43.64 95.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.239 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.45 94.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.072 -1.017 . . . . 0.0 109.96 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.62 -46.72 84.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.704 -1.247 . . . . 0.0 109.957 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.12 -39.71 86.7 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.323 -0.86 . . . . 0.0 110.342 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' NE2' ' OD1' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -64.99 -41.78 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.0 -1.062 . . . . 0.0 108.437 -179.388 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -67.14 -42.33 84.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.494 -0.754 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.8 mtm -60.94 -50.28 74.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.056 -1.027 . . . . 0.0 110.654 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -33.0 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.934 -1.104 . . . . 0.0 109.985 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.524 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -58.27 -26.49 63.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.001 -1.062 . . . . 0.0 110.34 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.19 -21.83 65.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.078 -1.014 . . . . 0.0 110.615 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -134.26 25.95 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.277 -0.889 . . . . 0.0 111.719 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -91.3 104.12 16.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.727 -1.233 . . . . 0.0 109.104 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.64 -24.04 18.04 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.128 -0.982 . . . . 0.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 30.5 p30 -92.19 -8.22 46.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.864 -1.148 . . . . 0.0 109.223 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.05 24.94 69.06 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p-10 -95.28 0.95 54.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.31 -1.112 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.98 22.04 75.65 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.8 p -140.73 161.24 38.24 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.12 125.07 61.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.831 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -99.89 160.19 14.5 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.609 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -53.01 11.96 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.571 -0.706 . . . . 0.0 111.631 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.63 -37.47 68.99 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 CA-C-N 120.216 1.113 . . . . 0.0 111.111 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.33 -45.17 92.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.2 -48.02 81.85 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.383 0.611 . . . . 0.0 111.71 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.72 -38.61 85.65 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 121.831 0.824 . . . . 0.0 109.545 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.5 m -62.26 -43.23 99.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.0 ttp -63.4 -39.79 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.158 -0.963 . . . . 0.0 109.563 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -60.27 -42.35 95.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.832 -1.168 . . . . 0.0 110.445 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.8 -23.63 45.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.814 -1.179 . . . . 0.0 108.785 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.64 -38.33 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.61 -0.681 . . . . 0.0 109.936 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.28 -41.17 88.27 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.7 mtm -62.22 -36.95 83.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.518 -0.739 . . . . 0.0 109.438 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.83 -2.59 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.851 -1.155 . . . . 0.0 110.193 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 53.62 43.9 30.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.997 -1.064 . . . . 0.0 110.069 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -93.74 91.38 6.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.31 -0.869 . . . . 0.0 108.737 179.656 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.1 t0 75.81 -34.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.78 -1.2 . . . . 0.0 108.242 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 79' ' ' THR . 90.7 p -57.84 -21.19 41.29 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.1 pp20? -73.75 -35.92 65.08 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.705 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 88.5 tt0 -52.18 -29.8 24.01 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.607 -0.683 . . . . 0.0 109.95 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 26.8 mp0 -62.38 -15.47 48.93 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.38 -0.825 . . . . 0.0 109.506 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.163 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -67.02 -37.6 84.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.73 -1.231 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.25 -39.69 93.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.766 -1.209 . . . . 0.0 109.743 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.84 34.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.125 -0.984 . . . . 0.0 109.596 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 26.8 t80 -59.33 -40.53 86.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.063 -1.023 . . . . 0.0 109.005 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.69 -39.92 95.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.604 -0.685 . . . . 0.0 110.434 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -74.02 -41.56 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.142 -0.974 . . . . 0.0 109.639 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.76 -40.78 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.07 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -83.08 84.77 7.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.993 -1.067 . . . . 0.0 110.462 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.25 -39.76 93.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.656 -0.653 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.66 -29.59 68.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.98 -1.075 . . . . 0.0 110.832 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.09 13.45 81.08 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.491 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 28.5 p-10 -71.33 -5.54 33.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.04 -1.271 . . . . 0.0 109.297 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.06 -1.81 80.79 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 108.439 -1.864 . . . . 0.0 108.439 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 65.7 m-85 -135.06 143.8 46.89 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.93 130.49 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.894 -1.129 . . . . 0.0 109.947 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -106.87 165.1 11.58 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.123 0.964 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.56 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.897 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.8 83.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.353 -1.467 . . . . 0.0 108.732 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 73.5 mt-10 -61.22 -40.18 93.04 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.248 -0.907 . . . . 0.0 110.196 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -66.92 -38.08 85.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 111.461 -178.454 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -65.13 -35.75 82.09 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.163 -1.586 . . . . 0.0 110.252 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.21 -62.12 1.82 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.261 -0.899 . . . . 0.0 112.864 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.65 -39.97 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.013 -1.054 . . . . 0.0 109.069 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.463 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -63.16 -39.3 94.27 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.996 -1.065 . . . . 0.0 110.18 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -66.7 -40.54 88.52 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.139 -0.976 . . . . 0.0 111.478 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.0 -21.76 66.64 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.028 -1.045 . . . . 0.0 111.501 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -92.67 10.43 30.65 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.978 -1.076 . . . . 0.0 110.07 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.16 12.79 81.94 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -102.37 127.45 49.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.486 -1.008 . . . . 0.0 108.994 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -136.35 119.45 16.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.484 -0.76 . . . . 0.0 109.229 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -116.35 -177.12 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -101.25 161.86 13.31 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 109.24 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.8 p-10 -58.39 -37.46 75.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 110.253 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 70.7 mm-40 -62.97 -40.38 97.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 109.17 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.86 -43.75 91.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 109.675 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -72.61 -35.4 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.74 -43.21 94.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 109.291 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.91 -37.63 88.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.238 -0.914 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 mtt -53.05 -39.89 63.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.035 -1.041 . . . . 0.0 109.12 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -67.04 -41.66 87.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.405 -0.809 . . . . 0.0 109.825 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.13 -47.25 85.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.805 -1.185 . . . . 0.0 110.596 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.07 -41.41 95.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.125 -0.985 . . . . 0.0 111.925 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.88 -7.95 56.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.837 -1.164 . . . . 0.0 111.677 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.1 88.79 4.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.471 -1.393 . . . . 0.0 110.203 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.39 -44.73 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.621 -0.674 . . . . 0.0 111.412 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.9 p30 -78.1 -23.38 47.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.049 . . . . 0.0 109.125 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.57 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.91 23.89 58.85 Favored Glycine 0 N--CA 1.482 1.756 0 C-N-CA 119.532 -1.318 . . . . 0.0 109.824 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 44.5 p30 -78.12 -11.19 59.9 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.378 -1.072 . . . . 0.0 110.417 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.85 -11.18 71.3 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.0 mp0 -130.83 162.68 29.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.28 -1.13 . . . . 0.0 108.604 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -98.29 123.8 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.2 -178.86 3.72 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.893 0.854 . . . . 0.0 110.56 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.1 m-85 -59.42 -39.86 84.82 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.63 -50.54 73.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.449 -0.782 . . . . 0.0 109.839 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.71 -40.76 84.27 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.099 -1.001 . . . . 0.0 109.245 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -63.5 -47.22 82.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.8 -0.563 . . . . 0.0 110.987 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.53 -42.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.469 0 O-C-N 119.864 -1.772 . . . . 0.0 107.971 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -62.9 -39.78 95.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.423 -0.798 . . . . 0.0 110.244 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.121 -0.987 . . . . 0.0 110.47 -179.133 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 p -107.33 156.8 18.51 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.933 0.873 . . . . 0.0 111.36 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.67 -35.72 76.94 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.282 0.563 . . . . 0.0 109.756 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.91 -39.7 86.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 0.0 109.952 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -63.03 -42.51 99.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.063 . . . . 0.0 110.216 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.07 -45.8 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.661 -1.274 . . . . 0.0 109.925 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.19 -43.3 99.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.932 -1.105 . . . . 0.0 110.775 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -87.9 -27.19 22.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.119 . . . . 0.0 110.658 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.52 -44.98 95.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.967 -1.083 . . . . 0.0 109.238 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.42 -46.88 88.44 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.862 . . . . 0.0 109.031 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -34.58 73.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 80.0 t80 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.169 -0.957 . . . . 0.0 111.537 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -59.67 -36.7 76.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.896 -1.127 . . . . 0.0 111.116 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -40.95 72.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.707 -1.246 . . . . 0.0 110.127 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -66.09 -40.01 90.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.781 -1.199 . . . . 0.0 109.314 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 26' ' ' THR . 52.7 t0 -84.64 80.99 9.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.621 -1.3 . . . . 0.0 109.712 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.08 -20.86 64.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 109.177 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -63.14 -27.52 69.43 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.581 -0.699 . . . . 0.0 109.878 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 9.28 68.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -92.77 4.02 54.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -1.165 . . . . 0.0 109.758 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 10.53 86.21 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.9 p -135.87 146.85 47.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.354 -1.086 . . . . 0.0 108.844 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -104.33 129.45 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.783 0.801 . . . . 0.0 108.997 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -105.58 157.37 17.44 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -54.64 -36.19 64.29 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.42 -40.7 89.7 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.051 -1.031 . . . . 0.0 110.057 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.8 -42.03 91.18 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.274 -0.891 . . . . 0.0 111.186 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -55.06 9.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.94 -40.42 96.87 Favored Glycine 0 N--CA 1.486 1.974 0 C-N-CA 119.264 -1.446 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -58.78 -46.51 87.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.667 -1.49 . . . . 0.0 109.2 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.3 -39.96 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.671 -1.268 . . . . 0.0 109.887 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 ttp -65.14 -37.59 87.91 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.598 -1.314 . . . . 0.0 109.205 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.48 -34.39 72.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.0 109.092 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.632 ' C ' ' H ' ' A' ' 40' ' ' GLY . 39.9 t -49.82 -34.89 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.196 -0.94 . . . . 0.0 108.775 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 20.54 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.632 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.32 46.55 94.08 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -119.21 166.16 13.31 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.998 0.904 . . . . 0.0 110.562 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -140.36 76.97 24.9 Favored Pre-proline 0 C--N 1.299 -1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -74.77 159.86 41.57 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.83 2.353 . . . . 0.0 112.736 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.9 p -106.93 164.78 11.84 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.827 0.822 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.49 -42.81 92.97 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.234 0.54 . . . . 0.0 110.151 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.76 93.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.79 -46.77 74.21 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 110.172 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.88 -40.4 87.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.191 -0.943 . . . . 0.0 110.176 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -63.81 -44.35 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.902 -1.124 . . . . 0.0 108.841 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.53 -39.77 92.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.491 -0.756 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.0 -58.67 6.54 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 110.961 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -37.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.466 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -58.49 -37.97 76.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.374 -0.829 . . . . 0.0 111.279 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.95 -16.72 32.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.919 -1.113 . . . . 0.0 111.154 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -134.98 25.11 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.116 -0.99 . . . . 0.0 111.846 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.5 t0 -87.33 99.78 12.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.588 -1.32 . . . . 0.0 108.802 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.23 -24.59 17.42 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.335 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.532 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 31.4 p30 -89.18 -11.11 44.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.921 -1.112 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 65.16 24.22 70.28 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 p-10 -95.77 0.87 52.87 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.361 -1.082 . . . . 0.0 110.004 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.27 21.3 75.75 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.513 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.5 p -141.31 162.25 35.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.125 -1.22 . . . . 0.0 107.974 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.6 mt -102.84 122.79 55.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.316 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 m-20 -92.47 157.76 16.39 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -49.83 -46.46 80.6 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 120.956 -1.09 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.1 -39.44 69.59 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 CA-C-N 120.867 1.345 . . . . 0.0 111.23 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.32 -43.9 97.76 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 35.2 t80 -61.58 -44.54 96.83 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.29 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -58.73 -39.98 82.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.988 0.899 . . . . 0.0 109.682 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -64.63 -42.78 95.25 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.854 -0.529 . . . . 0.0 109.681 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.04 -41.65 98.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.126 -0.983 . . . . 0.0 108.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.26 -41.88 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 110.645 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.32 -26.44 52.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.77 -1.206 . . . . 0.0 108.584 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.44 -43.49 96.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.384 -0.823 . . . . 0.0 109.515 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 ttp -60.19 -44.78 94.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.614 -0.679 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 87.3 tttt -61.73 -38.8 89.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.015 . . . . 0.0 109.267 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 6.9 t70 83.71 61.57 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.301 0.572 . . . . 0.0 109.792 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -73.57 0.68 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.328 -0.857 . . . . 0.0 109.237 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 81' ' ' SER . 55.4 p-10 -73.96 -17.43 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.205 . . . . 0.0 108.682 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.7 m -53.03 -28.08 22.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.618 -0.676 . . . . 0.0 109.532 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.5 -42.26 91.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.059 . . . . 0.0 108.35 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.39 -38.09 88.95 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.723 -0.611 . . . . 0.0 109.69 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.7 -18.34 61.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.389 -0.819 . . . . 0.0 110.519 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -61.28 -45.25 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.965 -1.084 . . . . 0.0 109.291 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -65.89 -39.57 90.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.285 . . . . 0.0 110.978 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.82 -37.12 81.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.005 -1.059 . . . . 0.0 110.586 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.07 72.67 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.244 -0.91 . . . . 0.0 110.381 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 34.4 t80 -58.05 -38.16 75.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.833 -1.167 . . . . 0.0 109.043 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -63.65 -37.24 86.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.542 -0.724 . . . . 0.0 109.58 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.41 -41.61 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.025 -1.047 . . . . 0.0 109.518 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -71.26 -41.54 69.93 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.564 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -84.6 87.26 7.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.01 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 64.0 tttm -66.41 -39.66 89.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.743 -0.598 . . . . 0.0 111.071 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.31 -29.38 68.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.997 -1.064 . . . . 0.0 110.92 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.28 13.4 82.84 Favored Glycine 0 N--CA 1.488 2.135 0 C-N-CA 119.42 -1.372 . . . . 0.0 109.834 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 33.0 p-10 -73.09 -5.54 39.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.955 -1.321 . . . . 0.0 109.467 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.08 85.68 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 43.4 m-85 -133.38 136.94 45.62 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.1 mt -95.06 124.19 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 110.514 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.8 p -95.09 167.51 11.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.272 -0.892 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.71 96.6 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.76 -0.587 . . . . 0.0 112.129 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.3 90.55 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.409 -1.432 . . . . 0.0 109.289 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 43.3 tt0 -63.56 -42.76 98.33 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.603 -0.686 . . . . 0.0 111.864 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.26 -36.61 84.67 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.961 -1.087 . . . . 0.0 110.447 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -64.43 -38.91 92.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.86 . . . . 0.0 110.803 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -57.48 -58.56 7.74 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.271 -0.893 . . . . 0.0 112.644 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.57 -44.0 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.061 -1.025 . . . . 0.0 109.33 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 113' ' ' GLY . 97.8 mtp -66.11 -38.83 89.17 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.695 -1.253 . . . . 0.0 110.553 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -65.57 -50.09 66.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.996 -1.065 . . . . 0.0 110.299 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.49 -38.64 68.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.109 -0.994 . . . . 0.0 111.663 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.17 9.94 25.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.62 -0.675 . . . . 0.0 111.632 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -150.69 -96.03 0.14 Allowed Glycine 0 N--CA 1.489 2.217 0 C-N-CA 119.151 -1.5 . . . . 0.0 109.739 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 109' ' ' MET . 25.1 pt-20 -172.79 148.92 1.92 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.564 -1.551 . . . . 0.0 109.032 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -73.44 133.32 43.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.005 -1.059 . . . . 0.0 109.586 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -107.78 -167.99 1.32 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -100.83 158.99 15.56 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.857 -1.152 . . . . 0.0 108.883 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.99 -39.09 84.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.291 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -62.14 -40.83 97.27 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.911 -1.118 . . . . 0.0 109.048 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.58 -44.72 95.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.287 -0.883 . . . . 0.0 109.848 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.66 -36.21 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 109.6 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -48.71 80.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.015 -1.053 . . . . 0.0 110.455 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.34 -38.35 89.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.14 -43.11 92.0 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.07 -1.019 . . . . 0.0 109.339 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.03 -38.69 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.254 -0.904 . . . . 0.0 109.078 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -59.5 -48.52 81.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.148 -0.97 . . . . 0.0 110.619 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.99 -43.63 82.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.162 -0.961 . . . . 0.0 112.085 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.37 60.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.204 -0.935 . . . . 0.0 111.515 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -68.38 98.78 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.829 -1.169 . . . . 0.0 110.233 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.77 -45.16 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.615 -0.678 . . . . 0.0 111.18 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p-10 -74.73 -25.38 59.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.066 -1.022 . . . . 0.0 108.666 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.17 19.33 59.19 Favored Glycine 0 N--CA 1.481 1.67 0 C-N-CA 119.444 -1.36 . . . . 0.0 109.908 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.2 p-10 -81.51 -4.98 57.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.241 -1.153 . . . . 0.0 110.072 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 -0.54 81.09 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -137.64 152.71 49.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.362 -1.081 . . . . 0.0 108.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 64.0 t -93.7 122.81 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.924 -1.11 . . . . 0.0 108.373 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.582 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.07 -179.28 3.89 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.748 0.785 . . . . 0.0 110.067 -177.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.4 m-85 -60.11 -38.87 84.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -59.87 -50.73 72.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.382 -0.824 . . . . 0.0 109.925 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 80.0 mt-10 -67.57 -39.68 84.89 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.064 0.935 . . . . 0.0 108.816 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -65.19 -45.22 85.73 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.288 -0.883 . . . . 0.0 110.89 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.47 -41.62 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.621 0 O-C-N 119.846 -1.784 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.5 -38.56 87.78 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.271 -0.893 . . . . 0.0 111.429 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.54 ' HE3' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.653 0 O-C-N 120.942 -1.099 . . . . 0.0 110.596 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.454 ' H ' HD13 ' A' ' 4' ' ' LEU . 39.3 p -105.06 156.91 17.62 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.82 0.819 . . . . 0.0 110.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.63 -38.36 87.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.72 -0.613 . . . . 0.0 110.998 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.69 -40.99 96.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.914 -1.116 . . . . 0.0 110.448 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -62.98 -44.86 94.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.012 . . . . 0.0 111.29 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.13 -45.06 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.506 -1.371 . . . . 0.0 109.68 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.01 93.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.854 -1.154 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.06 -44.31 96.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.949 -1.094 . . . . 0.0 111.294 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CG ' ' SD ' ' A' ' 72' ' ' MET . 10.7 m-85 -88.19 -30.94 19.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.876 -1.14 . . . . 0.0 110.899 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.44 -44.69 95.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.908 -1.12 . . . . 0.0 109.29 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.41 -47.86 84.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.133 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.47 74.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.395 -0.816 . . . . 0.0 110.057 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.61 -46.26 84.32 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.112 -0.992 . . . . 0.0 111.633 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -59.43 -36.94 76.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.782 -1.199 . . . . 0.0 110.927 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -41.3 78.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.718 -1.239 . . . . 0.0 109.897 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -66.25 -40.32 90.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.187 . . . . 0.0 109.057 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.8 t0 -84.79 81.79 8.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.725 -1.234 . . . . 0.0 109.755 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.11 -23.83 67.47 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.057 -1.027 . . . . 0.0 110.269 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.052 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.14 10.53 78.33 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 120.541 -1.349 . . . . 0.0 110.26 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -91.63 3.18 55.64 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.35 -1.088 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.03 8.33 87.92 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 69.8 p -135.16 148.7 49.79 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.333 -1.098 . . . . 0.0 108.905 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -104.44 130.83 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.1 p -108.67 158.54 17.51 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.9 p -54.96 -35.77 64.62 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.228 -0.92 . . . . 0.0 110.209 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.0 -41.55 95.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.767 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.85 -41.71 91.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.432 -0.793 . . . . 0.0 111.391 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -54.52 12.65 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.041 -1.037 . . . . 0.0 110.125 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.07 97.77 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.237 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.1 m -59.56 -46.08 89.96 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.901 -1.353 . . . . 0.0 109.827 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.43 -33.21 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.763 -1.211 . . . . 0.0 109.165 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 tpp -61.51 -32.82 72.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.969 -1.082 . . . . 0.0 109.783 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.43 -34.18 72.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.165 -0.96 . . . . 0.0 110.039 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -59.22 -37.46 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.16 -0.963 . . . . 0.0 108.706 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.8 11.38 0.14 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.403 -0.811 . . . . 0.0 108.818 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.36 36.87 93.22 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.569 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -114.36 159.36 20.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.479 -1.013 . . . . 0.0 109.632 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -141.53 69.9 26.03 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.56 159.99 47.64 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.471 2.114 . . . . 0.0 112.351 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.1 p -101.01 168.51 9.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.381 -0.824 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -59.63 -44.37 93.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.778 -0.576 . . . . 0.0 110.082 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.78 94.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 0.0 109.684 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.06 -46.32 81.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.908 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.64 -39.27 91.27 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.141 -0.974 . . . . 0.0 109.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -61.27 -44.8 96.65 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.98 -40.0 94.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.751 . . . . 0.0 109.763 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.53 -51.55 66.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.708 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.34 -38.0 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.17 -0.956 . . . . 0.0 110.7 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -57.78 -37.66 74.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.604 -0.685 . . . . 0.0 110.836 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 1.2 pp20? -61.3 -13.88 22.49 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.139 -0.976 . . . . 0.0 111.366 -178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -135.86 25.78 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 121.07 -1.019 . . . . 0.0 111.701 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -90.66 103.45 16.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.495 -1.378 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.07 -25.61 17.11 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.582 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -91.75 -7.2 50.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.792 -1.192 . . . . 0.0 109.136 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 61.72 25.32 65.41 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -94.13 0.59 55.92 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -1.119 . . . . 0.0 109.895 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.02 20.81 76.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 p -141.4 162.58 35.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.188 -1.183 . . . . 0.0 107.945 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -106.17 123.19 60.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.571 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.53 160.1 14.67 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.064 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -49.8 -45.29 79.8 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 111.254 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 -38.49 46.89 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 120.838 1.335 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.82 -45.09 94.22 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 30.4 t80 -61.58 -45.68 93.07 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.538 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.6 -39.92 89.9 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.18 0.991 . . . . 0.0 109.265 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -61.4 -44.17 97.61 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.24 -37.93 87.29 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.527 ' SD ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 mtp -60.89 -41.45 96.08 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.65 54.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.984 -1.073 . . . . 0.0 108.76 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 42.1 ttm180 -60.94 -38.24 85.12 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.421 -0.799 . . . . 0.0 110.528 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 77' ' ' LYS . 63.4 tttm -58.68 -47.42 84.59 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.172 -0.955 . . . . 0.0 110.298 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ptm -65.78 7.24 0.27 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.745 -1.222 . . . . 0.0 109.547 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 75' ' ' LYS . 67.5 mttm -115.09 -122.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -163.27 95.01 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.261 -1.524 . . . . 0.0 110.205 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -148.81 -73.13 0.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.143 -0.973 . . . . 0.0 108.56 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.57 -1.78 58.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -49.25 -42.61 41.25 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.87 -40.73 87.93 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.853 -1.154 . . . . 0.0 109.586 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.22 -44.43 83.84 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.546 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.15 -36.98 69.49 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.822 -1.174 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.48 -44.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.068 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.76 -38.79 80.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.109 -0.994 . . . . 0.0 110.714 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -65.36 -38.8 91.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.005 -1.059 . . . . 0.0 109.91 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.4 72.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.447 -0.783 . . . . 0.0 110.484 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.637 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.9 t80 -58.73 -38.97 79.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.986 -1.071 . . . . 0.0 108.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -62.54 -39.83 94.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.565 -0.71 . . . . 0.0 110.523 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.42 -40.04 24.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.051 -1.031 . . . . 0.0 109.453 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.24 -40.49 81.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 63.4 t0 -78.9 83.2 5.03 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.099 -1.001 . . . . 0.0 109.996 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -71.08 -42.19 69.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.417 -0.802 . . . . 0.0 111.301 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 14.0 p-10 -68.4 -27.58 66.34 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.821 -1.174 . . . . 0.0 110.727 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.49 80.38 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.545 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.8 p-10 -71.55 -4.2 25.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.775 -1.427 . . . . 0.0 108.638 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.9 -1.32 86.81 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.7 m-85 -135.34 140.19 44.88 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -89.58 118.33 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.303 -1.498 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.447 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 89.1 p -94.0 170.55 9.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 110.937 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.71 86.41 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.6 -0.688 . . . . 0.0 112.421 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.14 95.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.584 -1.322 . . . . 0.0 111.002 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 101' ' ' SER . 10.6 pt-20 -69.9 -27.1 64.52 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 111.883 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.9 tt -69.84 -38.02 76.35 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.765 -1.209 . . . . 0.0 110.994 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.07 -35.34 79.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.052 -1.03 . . . . 0.0 111.268 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.59 -56.16 25.71 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.18 -0.95 . . . . 0.0 112.813 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.38 -39.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.057 . . . . 0.0 108.539 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.578 ' SD ' HD23 ' A' ' 105' ' ' LEU . 95.2 mtp -62.23 -38.25 88.48 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.964 -1.085 . . . . 0.0 110.26 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.9 m -66.09 -40.01 90.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.217 -0.927 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.19 -22.6 66.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.896 -1.127 . . . . 0.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.49 10.08 33.93 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.095 -1.003 . . . . 0.0 109.791 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.2 18.69 80.02 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.11 140.9 40.63 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.492 -1.005 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -154.26 130.22 10.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.755 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -118.49 -173.04 2.39 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.2 p -98.27 162.61 13.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.084 -1.01 . . . . 0.0 109.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.15 -39.48 86.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.051 -1.03 . . . . 0.0 110.297 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.65 -40.07 95.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.046 . . . . 0.0 109.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -43.2 95.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.874 . . . . 0.0 109.686 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.92 -37.97 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.7 -46.3 90.27 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.101 -0.999 . . . . 0.0 110.055 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.49 -38.58 91.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.096 -1.003 . . . . 0.0 110.467 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.77 -39.63 89.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 0.0 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -70.08 -41.54 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 120.965 -1.084 . . . . 0.0 109.45 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.41 -47.77 84.27 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.158 -0.964 . . . . 0.0 110.722 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.52 -40.63 69.99 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.916 -1.115 . . . . 0.0 111.902 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.44 61.86 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.834 -1.166 . . . . 0.0 110.612 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -71.22 106.06 3.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.81 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -45.94 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.683 -0.636 . . . . 0.0 111.219 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p30 -75.69 -23.69 56.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 108.809 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 84.18 19.89 60.01 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -75.64 -10.36 59.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.372 -1.075 . . . . 0.0 109.938 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.41 -11.05 71.09 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.7 mp0 -130.77 159.76 36.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.256 -1.143 . . . . 0.0 108.469 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 123.2 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.52 -178.0 3.47 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.874 0.845 . . . . 0.0 110.603 -177.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.637 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 m-85 -60.62 -40.31 91.43 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.36 -49.28 78.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.252 -0.905 . . . . 0.0 109.768 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.09 -39.85 78.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.439 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -41.96 77.13 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.799 -0.563 . . . . 0.0 111.981 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.6 t -65.47 -40.05 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 120.054 -1.654 . . . . 0.0 109.314 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -61.41 -37.67 84.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 111.353 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 mmt . . . . . 0 N--CA 1.498 1.957 0 O-C-N 120.774 -1.204 . . . . 0.0 110.662 -177.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' LEU . 6.2 tp . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -108.96 157.09 18.98 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.35 -39.86 95.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 110.607 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.0 -38.78 89.91 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.974 -1.079 . . . . 0.0 110.822 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.03 -40.49 95.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.895 -1.128 . . . . 0.0 110.446 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.72 -40.57 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.493 -1.379 . . . . 0.0 109.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.54 75.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 109.679 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.58 -43.42 98.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.989 -1.069 . . . . 0.0 110.164 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.68 -19.94 26.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.981 -1.074 . . . . 0.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.47 -43.26 99.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.646 -1.283 . . . . 0.0 108.986 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.45 -46.2 89.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.0 109.398 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.91 85.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.195 -0.941 . . . . 0.0 109.365 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.83 -46.03 85.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.224 -0.922 . . . . 0.0 111.193 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.72 -21.77 66.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.062 . . . . 0.0 111.768 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -41.65 91.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.514 -1.366 . . . . 0.0 110.221 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.0 -37.0 75.56 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.063 -1.023 . . . . 0.0 109.75 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.8 t0 -82.73 83.03 7.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.657 -1.277 . . . . 0.0 109.877 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.1 -27.23 68.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.185 -0.947 . . . . 0.0 109.824 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.28 -28.2 69.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.0 109.697 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.05 13.05 81.28 Favored Glycine 0 N--CA 1.497 2.71 0 O-C-N 120.608 -1.307 . . . . 0.0 110.238 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -90.65 3.46 54.11 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.287 -1.125 . . . . 0.0 110.044 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.03 8.67 87.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 79.6 p -135.96 149.54 48.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -1.114 . . . . 0.0 109.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -102.92 130.69 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -104.62 155.13 19.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.264 0.554 . . . . 0.0 109.568 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.0 p -56.64 -31.99 64.89 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.268 -0.895 . . . . 0.0 110.372 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' OG1' ' A' ' 34' ' ' THR . 68.3 mttm -70.48 -39.05 74.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.975 -1.078 . . . . 0.0 109.615 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -41.42 92.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.275 -0.89 . . . . 0.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -55.8 7.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.066 -1.021 . . . . 0.0 110.348 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.3 -41.23 98.29 Favored Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.423 -1.37 . . . . 0.0 110.017 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -60.92 -47.06 88.14 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -1.2 . . . . 0.0 109.587 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.51 -37.99 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.657 -1.277 . . . . 0.0 109.345 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.0 ttp -63.98 -36.26 83.38 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.961 -1.087 . . . . 0.0 108.946 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -55.35 -34.83 64.59 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -58.33 -34.15 70.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -0.945 . . . . 0.0 108.774 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.1 tt -68.04 19.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.428 -0.795 . . . . 0.0 108.903 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 37.49 94.52 Favored Glycine 0 N--CA 1.484 1.855 0 O-C-N 121.109 -0.994 . . . . 0.0 110.85 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.22 161.65 20.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.447 -1.031 . . . . 0.0 109.753 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -141.31 71.57 26.9 Favored Pre-proline 0 C--N 1.301 -1.535 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.58 154.03 57.2 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.322 2.681 . . . . 0.0 112.641 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -106.96 166.05 10.89 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.687 0.756 . . . . 0.0 109.777 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.97 -42.92 95.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.614 -0.679 . . . . 0.0 110.043 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.16 95.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.171 -0.955 . . . . 0.0 110.048 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.14 -47.21 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.784 -1.198 . . . . 0.0 110.383 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.41 -40.93 73.58 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.268 -0.895 . . . . 0.0 111.799 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -62.58 -50.14 72.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.427 -1.421 . . . . 0.0 109.942 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.53 -43.84 98.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 mmm -63.36 -51.24 66.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 111.099 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -38.57 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 110.717 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.49 -39.11 82.69 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.473 -0.767 . . . . 0.0 111.694 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.77 -38.01 83.82 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.063 -1.023 . . . . 0.0 111.843 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.82 4.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 120.927 -1.108 . . . . 0.0 110.72 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -79.91 108.29 13.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.875 -1.141 . . . . 0.0 109.246 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.99 -23.94 17.84 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.277 -0.889 . . . . 0.0 110.783 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 33.0 p30 -92.79 -4.24 53.36 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.927 -1.108 . . . . 0.0 109.285 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.93 27.92 62.79 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.2 p-10 -93.27 1.26 57.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.264 -1.139 . . . . 0.0 109.981 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.91 16.95 76.63 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.404 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -141.29 160.58 39.81 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.19 -1.183 . . . . 0.0 107.869 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.4 mt -101.81 120.95 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.227 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -88.58 152.24 21.97 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.431 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.6 t80 -44.41 -53.21 14.97 Favored Pre-proline 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 111.648 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.1 Cg_endo -58.06 -33.91 97.84 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 120.67 1.275 . . . . 0.0 111.502 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.81 -43.94 91.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.694 -1.254 . . . . 0.0 107.685 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.32 -45.54 94.02 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.598 0.714 . . . . 0.0 110.389 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.48 -39.68 80.62 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.007 0.908 . . . . 0.0 109.666 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.1 m -61.94 -45.22 94.64 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.71 -39.37 93.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.109 -0.994 . . . . 0.0 110.072 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.99 -42.7 90.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 110.959 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.75 49.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.904 -1.123 . . . . 0.0 108.908 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 78' ' ' ASP . 52.4 ttt85 -62.75 -40.95 98.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.403 -0.811 . . . . 0.0 109.893 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 78' ' ' ASP . 55.4 tptt -59.87 -45.21 93.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 tpp -58.52 -39.64 80.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 0.0 109.468 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -105.02 11.63 33.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.277 -0.889 . . . . 0.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 74' ' ' ARG . 35.7 t0 -169.28 -175.04 2.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.811 -1.18 . . . . 0.0 110.121 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.53 97.5 3.47 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.54 -0.725 . . . . 0.0 110.078 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.36 -1.88 57.49 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.3 p -75.14 2.32 11.09 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.87 -40.33 75.98 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.1 -39.45 86.72 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.39 -29.77 69.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.682 -0.637 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -58.71 -46.79 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -69.25 -39.53 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.521 -1.362 . . . . 0.0 110.611 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -69.56 -38.79 77.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.983 -1.073 . . . . 0.0 110.599 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.36 72.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.452 -0.78 . . . . 0.0 111.086 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 25.5 t80 -58.81 -39.08 80.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.558 -1.339 . . . . 0.0 109.114 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.54 -37.33 87.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.763 . . . . 0.0 110.114 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.62 -40.96 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.978 -1.076 . . . . 0.0 109.458 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -71.21 -40.68 70.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.2 t0 -80.57 83.84 6.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.018 -1.051 . . . . 0.0 110.197 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.3 -44.63 91.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.443 -0.785 . . . . 0.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p30 -68.91 -26.93 65.34 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.917 -1.114 . . . . 0.0 110.978 -178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.559 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 73.22 17.12 78.64 Favored Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.604 -1.284 . . . . 0.0 109.958 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.7 p-10 -70.8 -5.72 32.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.957 -1.319 . . . . 0.0 108.762 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.18 -1.6 80.18 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 58.9 m-85 -134.41 141.69 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -96.71 128.94 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.0 109.419 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 p -106.61 165.81 11.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.941 0.877 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.95 88.5 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.884 -0.51 . . . . 0.0 111.606 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.96 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.381 -1.449 . . . . 0.0 108.508 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -61.58 -39.9 92.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.295 -0.878 . . . . 0.0 110.227 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.0 -39.47 87.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.294 -0.879 . . . . 0.0 111.051 -178.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -63.9 -37.57 87.9 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.423 -1.423 . . . . 0.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -63.54 -60.78 2.89 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.261 -0.899 . . . . 0.0 112.743 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.05 -40.2 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.7 mtp -62.77 -39.01 92.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -65.29 -40.24 93.59 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.333 -0.854 . . . . 0.0 110.762 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -63.17 -22.99 67.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.161 -0.962 . . . . 0.0 110.958 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.28 7.52 40.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.936 -1.103 . . . . 0.0 109.913 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.37 81.92 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.52 127.2 50.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.476 -1.014 . . . . 0.0 108.885 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -135.59 119.58 17.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 109.569 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.06 -177.2 3.07 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -101.11 163.69 12.16 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.173 -0.954 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.42 -41.5 85.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.279 -0.888 . . . . 0.0 110.533 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.74 -39.8 92.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.989 -1.07 . . . . 0.0 109.273 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -64.34 -42.78 96.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.277 -0.889 . . . . 0.0 109.664 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.7 t -71.9 -33.17 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.2 -38.84 80.89 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.233 -0.917 . . . . 0.0 109.323 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 77.2 mm-40 -61.2 -38.93 88.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.108 -0.995 . . . . 0.0 109.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.7 mtt -61.17 -42.27 98.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.002 . . . . 0.0 110.381 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.78 -46.04 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.031 -1.043 . . . . 0.0 110.045 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 123' ' ' GLU . 87.2 mtm180 -63.57 -40.79 97.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.881 -1.137 . . . . 0.0 111.389 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.73 -38.91 87.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 110.803 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.87 -0.11 57.37 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.134 -0.979 . . . . 0.0 111.094 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.3 85.71 5.77 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.82 -1.175 . . . . 0.0 109.984 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.49 -42.34 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.0 110.88 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.3 p30 -79.28 -25.19 42.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 0.0 109.361 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.572 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.36 20.15 67.45 Favored Glycine 0 N--CA 1.481 1.697 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.6 p-10 -78.16 -10.24 59.54 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.394 -1.062 . . . . 0.0 110.035 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.9 -9.46 77.2 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -132.49 166.26 22.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.318 -1.107 . . . . 0.0 108.651 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.61 124.19 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.61 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.49 -175.62 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.944 0.878 . . . . 0.0 110.341 -177.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.8 m-85 -62.75 -39.73 95.05 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.85 -50.99 71.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 109.659 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 79.7 mt-10 -66.22 -41.35 90.23 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 121.21 -0.931 . . . . 0.0 109.327 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -64.01 -47.1 81.63 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.688 -0.633 . . . . 0.0 110.552 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.73 -43.3 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 120.148 -1.595 . . . . 0.0 108.623 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.0 -37.51 87.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.787 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.7 ttp . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.057 -1.027 . . . . 0.0 110.712 -178.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -106.18 156.96 17.93 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.62 0.724 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.77 -39.4 88.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.648 -0.658 . . . . 0.0 110.355 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -58.65 -43.81 89.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.965 -1.084 . . . . 0.0 110.081 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -61.98 -45.58 92.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.117 -0.99 . . . . 0.0 111.313 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.89 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.318 -1.489 . . . . 0.0 109.61 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.44 91.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.988 -1.07 . . . . 0.0 110.537 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.67 -44.7 96.45 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.956 -1.09 . . . . 0.0 110.681 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -88.12 -28.35 21.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.021 -1.05 . . . . 0.0 110.557 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -62.91 -43.53 98.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.871 -1.143 . . . . 0.0 109.296 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.04 -46.74 88.54 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.755 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.41 68.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 0.0 110.087 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -58.36 -46.85 85.49 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.148 -0.97 . . . . 0.0 111.48 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.67 -36.82 77.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 111.046 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -40.76 73.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.728 -1.233 . . . . 0.0 109.933 -178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -66.36 -40.33 89.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.765 -1.209 . . . . 0.0 109.276 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 48.9 t0 -84.23 82.06 8.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.562 -1.336 . . . . 0.0 109.878 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.72 -25.17 68.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.899 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.64 -27.35 69.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.041 -1.037 . . . . 0.0 110.128 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.01 79.94 Favored Glycine 0 N--CA 1.497 2.754 0 O-C-N 120.475 -1.391 . . . . 0.0 110.567 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -92.19 3.6 55.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.213 -1.169 . . . . 0.0 110.162 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 7.01 88.97 Favored Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.201 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 70.6 p -134.76 149.1 50.38 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.35 -1.088 . . . . 0.0 108.873 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.3 mt -105.96 131.66 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.0 p -108.07 158.67 17.2 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.263 0.554 . . . . 0.0 110.033 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.6 p -55.98 -34.55 65.84 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.269 -0.894 . . . . 0.0 110.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.87 -39.75 83.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.964 -1.085 . . . . 0.0 109.795 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.5 -42.54 92.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 0.0 110.553 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 -53.15 16.97 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.241 -0.912 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.94 98.35 Favored Glycine 0 N--CA 1.486 2.009 0 C-N-CA 119.261 -1.447 . . . . 0.0 109.742 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.5 m -60.5 -46.41 90.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.365 . . . . 0.0 109.273 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.59 -37.78 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.76 -1.213 . . . . 0.0 109.051 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 ttt -62.26 -35.6 79.46 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.03 -1.044 . . . . 0.0 109.135 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.98 -37.34 76.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.402 -0.811 . . . . 0.0 109.724 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.0 m -59.6 -30.1 68.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.207 -0.933 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -68.37 16.83 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.322 -0.861 . . . . 0.0 108.881 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.01 33.23 86.67 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -113.6 160.31 18.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.603 -0.939 . . . . 0.0 109.505 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -140.3 69.99 33.44 Favored Pre-proline 0 C--N 1.296 -1.74 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.69 160.03 44.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 122.42 2.08 . . . . 0.0 112.21 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.0 p -104.47 168.73 8.9 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.743 0.782 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.62 -42.96 93.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.083 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.077 -1.014 . . . . 0.0 110.04 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.64 -45.27 87.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.91 -1.119 . . . . 0.0 110.123 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.83 -38.0 82.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.356 -0.84 . . . . 0.0 109.475 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -60.4 -47.43 86.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.252 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.05 -41.99 98.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.89 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.7 mtt -59.99 -50.72 72.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.997 -1.064 . . . . 0.0 110.705 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -36.81 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.966 -1.084 . . . . 0.0 110.766 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.81 -35.79 71.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.443 -0.786 . . . . 0.0 110.611 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.92 -19.61 52.71 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 111.382 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.4 p -134.26 27.7 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 121.059 -1.025 . . . . 0.0 111.704 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -92.23 101.93 14.43 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.686 -1.259 . . . . 0.0 108.777 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.07 -18.04 21.34 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 64' ' ' ASP . 64.1 m-20 -89.89 -14.65 33.81 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.888 -1.132 . . . . 0.0 108.547 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.55 18.85 68.35 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 107.71 -2.156 . . . . 0.0 107.71 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.13 1.67 54.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.632 -0.922 . . . . 0.0 110.293 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.91 22.49 75.74 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 60.1 p -140.68 160.6 39.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.235 -1.156 . . . . 0.0 108.107 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.2 122.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.375 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 65.7 m-20 -93.29 157.32 16.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.972 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.426 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 31.0 t80 -46.86 -51.55 38.26 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.7 -35.35 94.98 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 120.958 1.378 . . . . 0.0 111.515 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.18 -43.91 93.63 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.65 -43.98 97.83 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.24 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.43 -39.64 88.16 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.929 0.871 . . . . 0.0 109.717 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.92 -42.98 99.72 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttp -60.96 -40.65 94.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.208 -0.932 . . . . 0.0 109.005 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -40.37 91.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.085 -1.009 . . . . 0.0 110.272 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.67 55.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.971 -1.081 . . . . 0.0 108.83 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -57.73 -25.06 59.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.464 -0.773 . . . . 0.0 110.446 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.55 -45.5 81.19 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.132 -0.98 . . . . 0.0 109.061 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -63.74 -40.78 97.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.224 -0.923 . . . . 0.0 110.107 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.84 -37.85 73.18 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.146 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.1 t0 58.08 60.23 2.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.237 -0.914 . . . . 0.0 109.431 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -76.21 0.49 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.103 -0.998 . . . . 0.0 110.059 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.85 -24.62 24.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.842 -1.161 . . . . 0.0 109.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -54.3 -22.96 13.34 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.601 -0.687 . . . . 0.0 109.211 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.37 -46.24 86.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.1 -38.19 87.95 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.216 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -72.05 -23.39 61.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.275 -0.891 . . . . 0.0 110.198 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.37 -39.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -63.49 -37.37 87.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.767 -1.208 . . . . 0.0 110.214 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.4 -36.85 83.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.951 -1.093 . . . . 0.0 109.665 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.46 63.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.231 -0.918 . . . . 0.0 109.867 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 33.4 t80 -55.83 -37.95 69.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.007 -1.058 . . . . 0.0 109.201 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -65.24 -37.03 85.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.356 -0.84 . . . . 0.0 109.966 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -40.85 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.953 -1.092 . . . . 0.0 109.445 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -72.3 -41.7 66.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.44 -0.787 . . . . 0.0 109.855 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 29.6 t0 -81.47 83.81 6.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 110.035 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -65.14 -42.92 93.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.502 -0.749 . . . . 0.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.8 p30 -68.7 -26.91 65.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.957 -1.09 . . . . 0.0 110.945 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.27 14.77 81.61 Favored Glycine 0 N--CA 1.489 2.178 0 C-N-CA 119.462 -1.351 . . . . 0.0 109.817 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.7 p-10 -69.92 -5.68 27.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.977 -1.308 . . . . 0.0 108.705 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.77 2.81 81.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 36.4 m-85 -136.94 145.77 44.64 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.43 127.48 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.804 -1.185 . . . . 0.0 108.754 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 p -105.72 166.37 10.51 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.975 0.893 . . . . 0.0 110.705 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.75 88.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.871 -0.518 . . . . 0.0 111.398 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.5 86.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.434 -1.416 . . . . 0.0 108.643 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.54 -41.22 97.03 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.32 -39.71 85.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.0 110.761 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -64.83 -37.21 86.84 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.437 -1.414 . . . . 0.0 110.167 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -65.07 -60.51 2.95 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.339 -0.851 . . . . 0.0 112.532 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.55 -40.51 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.055 -1.028 . . . . 0.0 109.29 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.1 mtp -62.23 -38.28 88.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.117 -0.99 . . . . 0.0 110.193 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.3 m -64.78 -40.25 94.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.223 -0.923 . . . . 0.0 110.742 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.25 -22.47 66.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.137 -0.977 . . . . 0.0 111.191 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.46 7.87 30.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.794 -1.191 . . . . 0.0 109.775 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.25 13.76 82.45 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -108.65 141.5 40.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.7 -0.883 . . . . 0.0 109.212 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.9 124.62 11.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.28 -176.86 3.0 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.7 p -100.88 163.67 12.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.157 -0.964 . . . . 0.0 109.214 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.56 -39.45 84.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.112 -0.992 . . . . 0.0 110.12 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.21 -40.21 95.33 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 109.358 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.47 -43.45 94.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.256 -0.902 . . . . 0.0 109.694 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.07 -37.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.76 -43.12 98.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.037 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.79 -37.9 88.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.07 -1.019 . . . . 0.0 110.054 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.0 mtt -61.09 -39.87 91.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.302 -0.874 . . . . 0.0 109.816 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.56 -44.18 99.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 108.831 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -61.09 -45.89 92.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.873 -1.142 . . . . 0.0 110.898 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.79 -39.15 87.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.21 -0.931 . . . . 0.0 111.812 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.31 -11.5 54.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.67 -1.268 . . . . 0.0 111.031 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -76.01 90.58 3.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.725 -1.234 . . . . 0.0 109.861 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.95 -46.07 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.8 p30 -76.28 -23.93 54.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.065 -1.022 . . . . 0.0 109.06 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.543 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.91 22.07 50.69 Favored Glycine 0 N--CA 1.481 1.662 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.191 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.465 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 42.7 p30 -80.08 -6.78 58.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -1.138 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 80.88 -1.34 84.47 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 56.9 mt-30 -138.66 159.68 41.51 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.195 -1.179 . . . . 0.0 108.293 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -98.65 123.69 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.955 -1.091 . . . . 0.0 108.563 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.26 -176.16 2.98 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.976 0.893 . . . . 0.0 110.599 -177.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.0 m-85 -60.98 -40.28 92.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -50.46 73.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -67.97 -42.08 81.42 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.33 -48.44 79.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.583 -0.698 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.17 -43.19 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.154 -1.591 . . . . 0.0 108.382 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -70.38 -36.77 74.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 112.173 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 ttt . . . . . 0 N--CA 1.496 1.869 0 O-C-N 120.843 -1.161 . . . . 0.0 110.521 -177.779 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -107.99 156.52 19.14 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.727 0.775 . . . . 0.0 110.769 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -64.91 -20.13 66.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.577 -0.702 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.8 -40.2 83.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.018 -1.051 . . . . 0.0 109.697 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -64.02 -40.71 96.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.341 -0.849 . . . . 0.0 110.748 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.7 -45.25 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.562 -1.336 . . . . 0.0 109.351 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.71 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.073 -1.017 . . . . 0.0 110.188 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -62.02 -44.02 97.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.922 -1.111 . . . . 0.0 110.677 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.12 -28.88 20.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.991 -1.068 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.9 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.993 -1.067 . . . . 0.0 109.274 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.92 -46.09 90.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.397 -0.814 . . . . 0.0 109.15 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -28.51 61.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 110.12 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 84.6 t80 -59.11 -46.43 88.33 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.132 -0.98 . . . . 0.0 111.558 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.41 -36.38 75.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.95 -1.094 . . . . 0.0 111.32 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.671 -1.268 . . . . 0.0 110.406 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.94 -39.52 83.45 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.7 -1.25 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.71 81.73 8.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.759 -1.213 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.24 -24.51 67.69 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.12 -0.988 . . . . 0.0 109.757 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -28.97 70.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 10.14 83.21 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.536 -1.352 . . . . 0.0 110.206 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -90.87 3.7 53.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.215 -1.168 . . . . 0.0 109.799 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.62 8.69 87.54 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.7 p -135.33 149.71 49.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.179 -1.189 . . . . 0.0 108.845 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.76 128.96 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -104.88 157.9 16.89 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.213 0.53 . . . . 0.0 109.628 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -55.47 -34.69 64.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.282 -0.886 . . . . 0.0 109.896 -178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.6 -41.39 88.51 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.093 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -41.61 93.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.375 -0.828 . . . . 0.0 111.446 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -54.91 10.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.059 -1.025 . . . . 0.0 109.909 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.76 99.11 Favored Glycine 0 N--CA 1.485 1.94 0 C-N-CA 119.434 -1.365 . . . . 0.0 110.283 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -59.38 -46.21 89.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.657 -1.496 . . . . 0.0 109.611 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.02 -37.99 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.684 -1.26 . . . . 0.0 109.489 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.436 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 48.8 ttp -67.61 -37.35 82.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.922 -1.112 . . . . 0.0 109.759 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.35 -35.05 73.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.056 -1.027 . . . . 0.0 109.694 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.569 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.6 m -55.81 -33.81 64.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.105 -0.997 . . . . 0.0 109.126 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.51 25.7 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.949 . . . . 0.0 108.69 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.99 41.71 98.51 Favored Glycine 0 N--CA 1.484 1.85 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 36' ' ' MET . 51.0 mt-30 -117.1 155.28 29.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.587 -0.949 . . . . 0.0 109.15 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.13 75.38 20.35 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.527 -0.733 . . . . 0.0 109.315 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.8 162.53 26.78 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.845 2.363 . . . . 0.0 112.729 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -104.63 162.41 13.3 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.69 0.757 . . . . 0.0 109.775 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.66 -43.51 97.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.704 -0.623 . . . . 0.0 110.608 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.4 94.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.924 -1.11 . . . . 0.0 109.997 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.63 -46.25 86.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.809 -1.182 . . . . 0.0 109.918 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.54 -38.87 81.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.336 -0.853 . . . . 0.0 110.598 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.607 HE22 ' CG ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -61.69 -42.51 99.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.955 -1.09 . . . . 0.0 108.5 -179.057 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.44 -45.23 91.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.458 -0.776 . . . . 0.0 110.442 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mtt -60.29 -52.11 66.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.918 -1.114 . . . . 0.0 110.697 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -35.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 109.907 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.607 ' CG ' HE22 ' A' ' 49' ' ' GLN . 0.8 OUTLIER -59.1 -27.07 65.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.071 -1.018 . . . . 0.0 110.442 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.81 -21.17 66.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.822 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.8 p -135.0 29.0 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 121.206 -0.934 . . . . 0.0 111.871 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.8 t0 -91.41 104.3 16.83 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.61 -1.306 . . . . 0.0 108.95 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.23 -23.47 18.52 Favored 'General case' 0 N--CA 1.504 2.236 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.324 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 20.3 p30 -93.44 -7.74 43.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 109.147 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.88 26.08 68.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.0 p30 -96.25 1.33 52.0 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.404 -1.056 . . . . 0.0 110.215 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.2 22.51 74.48 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.479 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -140.42 160.98 38.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.289 -1.124 . . . . 0.0 107.968 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -106.1 122.52 59.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.778 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -93.19 156.73 16.66 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.857 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 30.4 t80 -46.95 -52.18 34.89 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 111.617 -178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -59.15 -35.66 97.32 Favored 'Trans proline' 0 N--CA 1.49 1.267 0 CA-C-N 120.921 1.365 . . . . 0.0 111.541 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.21 -44.23 92.56 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 31.2 t80 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.689 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -59.06 -39.77 83.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.988 0.899 . . . . 0.0 109.477 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -63.57 -42.88 98.28 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.06 -41.29 97.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.96 -42.39 94.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.505 -0.747 . . . . 0.0 110.487 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.13 51.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 108.313 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -64.05 -29.29 70.44 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -60.15 -43.27 95.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 110.393 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.9 ptp -68.99 -13.62 62.56 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.638 -1.289 . . . . 0.0 110.161 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 57.4 tptt -68.54 -38.06 80.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.895 -1.128 . . . . 0.0 110.004 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 12.6 t0 81.81 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.55 -81.51 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.614 -0.679 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 97.1 m-20 -88.78 -25.58 22.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.082 -1.011 . . . . 0.0 108.274 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.3 t -46.98 -26.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.01 -41.99 99.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.196 -0.94 . . . . 0.0 108.557 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ASP . 98.3 mt-10 -66.0 -40.32 91.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.03 -38.39 75.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.095 -1.003 . . . . 0.0 109.74 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.66 -39.86 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.526 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.891 -1.131 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.23 -37.49 83.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 0.0 109.581 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -31.93 59.6 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.7 t80 -57.23 -38.37 73.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.76 -39.67 94.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -37.83 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.944 -1.097 . . . . 0.0 109.859 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -67.52 -41.92 83.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.331 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -83.73 84.64 7.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.893 -1.13 . . . . 0.0 109.974 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.52 -38.5 89.84 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.572 -0.705 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.03 -28.92 68.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.216 -0.927 . . . . 0.0 110.65 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.9 12.3 84.72 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 34.9 p-10 -71.58 -4.79 28.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.102 -1.234 . . . . 0.0 109.047 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.42 4.02 86.29 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 32.9 m-85 -137.16 146.33 44.83 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.44 127.62 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.071 -1.018 . . . . 0.0 108.903 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.0 p -105.33 165.12 11.34 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.988 0.899 . . . . 0.0 110.537 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.32 90.78 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.892 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.45 87.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.381 -1.449 . . . . 0.0 108.78 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 88.6 mt-10 -61.46 -39.95 92.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.875 . . . . 0.0 110.136 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.87 -39.01 87.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 111.339 -178.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.311 -1.493 . . . . 0.0 110.244 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -65.64 -60.18 3.18 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.281 -0.887 . . . . 0.0 112.624 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.6 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.012 -1.055 . . . . 0.0 109.452 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.2 mtp -62.42 -37.89 87.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.04 -1.037 . . . . 0.0 110.142 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.0 m -65.36 -40.05 93.08 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.193 -0.942 . . . . 0.0 110.893 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.75 -22.34 66.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.097 -1.002 . . . . 0.0 111.565 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 mt -88.29 9.64 22.47 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.741 -1.224 . . . . 0.0 109.988 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.36 11.66 84.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -104.71 139.69 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.589 -0.948 . . . . 0.0 109.153 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -143.9 119.89 10.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.386 -0.821 . . . . 0.0 109.577 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.32 -177.45 3.13 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -101.12 163.33 12.33 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.28 -0.887 . . . . 0.0 108.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.61 -38.91 82.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.003 -1.061 . . . . 0.0 110.03 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.32 -39.9 94.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.052 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.2 -43.67 94.35 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.14 -36.55 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.96 -48.14 82.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.118 -0.989 . . . . 0.0 109.151 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.87 -37.52 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.179 -0.951 . . . . 0.0 109.79 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.95 -40.66 67.02 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.21 -40.68 83.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.491 -0.755 . . . . 0.0 109.11 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.18 -42.4 98.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.241 -0.912 . . . . 0.0 110.925 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -69.66 -38.87 77.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.73 -1.231 . . . . 0.0 111.269 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.69 -4.27 59.15 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.941 -1.1 . . . . 0.0 110.991 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -79.75 89.25 5.19 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.665 -1.272 . . . . 0.0 110.331 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.406 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -94.14 -45.81 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 111.414 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.8 p-10 -75.31 -26.1 58.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 108.889 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.76 20.65 63.14 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 55.6 p-10 -77.78 -7.5 56.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.383 -1.069 . . . . 0.0 109.943 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.26 -11.01 68.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.3 mp0 -131.59 166.78 20.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.327 -1.102 . . . . 0.0 108.467 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.32 125.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.606 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 -178.72 3.67 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.806 0.812 . . . . 0.0 110.595 -178.265 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.588 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.9 m-85 -59.34 -39.51 83.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -50.16 74.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.356 -0.84 . . . . 0.0 109.676 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 48.0 mt-10 -68.02 -41.8 81.62 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -62.45 -48.67 78.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.626 -0.671 . . . . 0.0 111.427 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.68 -42.64 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.895 -1.753 . . . . 0.0 107.108 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -65.21 -36.79 85.26 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.883 . . . . 0.0 111.946 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.0 ttp . . . . . 0 N--CA 1.497 1.89 0 O-C-N 120.826 -1.171 . . . . 0.0 111.487 -177.341 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 p -108.44 161.34 15.12 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.87 -38.01 84.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.354 -0.841 . . . . 0.0 109.617 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.01 -39.14 93.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.011 . . . . 0.0 110.971 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -62.86 -42.49 99.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.692 -1.255 . . . . 0.0 110.493 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.59 -39.88 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.518 -1.364 . . . . 0.0 108.924 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.46 77.92 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.938 -1.101 . . . . 0.0 109.863 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.44 -44.13 97.65 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.843 -1.161 . . . . 0.0 110.657 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -87.42 -21.17 25.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.888 -1.132 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.25 -42.55 96.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.754 -1.216 . . . . 0.0 109.236 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.81 -43.44 98.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.024 -1.047 . . . . 0.0 109.351 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.29 83.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.22 -0.925 . . . . 0.0 109.092 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -58.13 -45.61 87.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 111.407 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.1 p -62.22 -20.56 64.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.886 -1.134 . . . . 0.0 111.546 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -40.99 97.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.531 -1.356 . . . . 0.0 109.871 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -69.13 -37.82 78.52 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.07 -1.019 . . . . 0.0 109.54 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 26' ' ' THR . 38.8 t70 -83.86 84.87 7.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.619 -1.301 . . . . 0.0 110.054 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.74 -39.54 94.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.266 -0.897 . . . . 0.0 111.179 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 57.6 p30 -65.43 -23.04 66.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.737 -1.227 . . . . 0.0 110.198 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.34 21.13 79.5 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -80.46 -0.91 39.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.036 -1.273 . . . . 0.0 109.378 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 4.2 90.5 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 77.6 p -136.07 147.49 47.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.359 -1.083 . . . . 0.0 108.468 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -98.87 130.22 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.276 -0.89 . . . . 0.0 109.004 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.1 p -105.95 157.92 17.15 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.267 0.556 . . . . 0.0 110.393 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 p -56.97 -36.16 69.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.23 -0.919 . . . . 0.0 110.308 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.86 -41.88 95.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.789 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 96.5 mt-10 -65.55 -41.08 93.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.553 -0.717 . . . . 0.0 111.089 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -54.91 12.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.612 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.69 -40.8 98.53 Favored Glycine 0 N--CA 1.484 1.875 0 C-N-CA 119.305 -1.426 . . . . 0.0 110.184 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -59.07 -46.09 89.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.559 -1.554 . . . . 0.0 108.896 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.78 -37.09 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.741 -1.224 . . . . 0.0 109.21 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.5 ttp -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.652 -1.28 . . . . 0.0 109.369 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -60.44 -34.39 73.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.189 -0.945 . . . . 0.0 109.058 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 41.3 t -50.06 -35.21 24.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.258 -0.901 . . . . 0.0 108.794 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.82 23.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.246 -0.909 . . . . 0.0 108.757 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.22 42.6 98.74 Favored Glycine 0 N--CA 1.486 2.016 0 O-C-N 121.205 -0.934 . . . . 0.0 111.262 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -112.92 164.57 13.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.457 -1.026 . . . . 0.0 110.114 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -138.04 73.58 45.06 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.12 162.05 37.43 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.789 2.326 . . . . 0.0 113.26 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.46 163.1 13.73 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.851 0.834 . . . . 0.0 109.761 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.98 -41.73 92.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.356 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.964 -1.085 . . . . 0.0 110.698 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE2' ' SD ' ' A' ' 51' ' ' MET . 15.1 tm-20 -66.76 -46.12 76.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.547 -1.346 . . . . 0.0 110.308 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.04 -39.76 90.42 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.109 -0.995 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.63 -45.87 90.84 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.929 -1.107 . . . . 0.0 108.687 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.72 -40.48 95.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.693 -0.629 . . . . 0.0 110.663 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.482 ' SD ' ' OE2' ' A' ' 47' ' ' GLU . 14.2 mtt -58.28 -55.5 34.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.059 -1.026 . . . . 0.0 110.314 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.88 -37.3 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 109.924 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -54.08 -27.95 35.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.3 -0.875 . . . . 0.0 110.467 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.51 -20.69 66.09 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 111.548 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -134.94 29.92 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 121.0 -1.063 . . . . 0.0 111.807 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -88.56 98.67 11.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.553 -1.342 . . . . 0.0 109.244 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.12 -28.93 14.83 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.322 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -83.62 -13.99 53.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.908 -1.12 . . . . 0.0 108.827 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.2 23.04 71.33 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -94.4 1.37 55.83 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.435 -1.038 . . . . 0.0 110.215 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.48 16.52 75.73 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 121.084 -1.01 . . . . 0.0 110.674 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.3 p -140.41 161.78 36.89 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.197 -1.178 . . . . 0.0 107.943 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -101.11 121.72 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.406 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.7 m-20 -93.15 154.2 18.2 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.414 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.8 t80 -43.46 -52.48 13.36 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.486 -0.759 . . . . 0.0 111.962 -178.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.8 Cg_endo -59.45 -34.77 97.23 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 CA-C-N 120.991 1.39 . . . . 0.0 111.553 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.56 -44.2 94.82 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.55 -46.36 90.27 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.171 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.94 -38.57 82.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.872 . . . . 0.0 110.012 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -62.61 -43.49 98.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.703 -0.623 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.3 ttp -62.35 -40.74 97.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.433 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.29 -40.84 91.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 0.0 110.821 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.26 -24.28 51.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.908 -1.12 . . . . 0.0 109.14 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ASP . 14.6 tpp85 -59.16 -39.66 83.17 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.571 -0.705 . . . . 0.0 110.303 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ASP . 57.1 mtmt -62.78 -45.25 93.56 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.603 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 mmm -69.73 -40.3 76.29 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.558 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.12 -39.21 25.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.983 -1.073 . . . . 0.0 109.803 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 79' ' ' THR . 39.2 t0 -138.99 -173.94 3.71 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.987 0.899 . . . . 0.0 109.599 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.9 OUTLIER -131.1 55.36 1.85 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.729 0.776 . . . . 0.0 109.718 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.47 -11.06 60.68 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -76.86 7.48 4.73 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 -40.6 78.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.377 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 -43.73 92.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.254 -0.904 . . . . 0.0 109.105 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 59.0 mp0 -70.52 -29.46 65.96 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.285 -0.884 . . . . 0.0 109.674 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mt -60.7 -44.83 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.01 -36.86 84.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.936 -1.102 . . . . 0.0 109.985 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.64 -39.39 91.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.78 -31.24 58.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.112 -0.993 . . . . 0.0 109.463 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.2 t80 -57.51 -41.04 80.02 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.213 -0.93 . . . . 0.0 109.17 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -63.53 -39.87 95.56 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.51 -0.744 . . . . 0.0 110.642 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.93 -40.01 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.123 -0.986 . . . . 0.0 109.777 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -69.55 -40.59 76.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.194 -0.941 . . . . 0.0 109.694 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.9 t0 -81.82 84.35 6.9 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.954 -1.091 . . . . 0.0 110.345 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.61 -41.56 92.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.5 -0.75 . . . . 0.0 111.52 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.0 p30 -68.24 -26.44 65.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.887 -1.133 . . . . 0.0 111.148 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.49 14.87 81.61 Favored Glycine 0 N--CA 1.488 2.139 0 C-N-CA 119.471 -1.347 . . . . 0.0 109.786 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.493 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.3 p-10 -71.2 -4.25 24.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.011 -1.288 . . . . 0.0 108.79 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.98 1.81 86.57 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.8 m-85 -135.74 148.08 48.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.6 128.99 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.82 -1.175 . . . . 0.0 109.175 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.0 p -106.85 165.23 11.48 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 122.015 0.912 . . . . 0.0 110.691 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.52 91.57 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.236 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.08 85.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.281 -1.512 . . . . 0.0 108.539 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.46 -40.98 96.47 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.24 -0.912 . . . . 0.0 109.822 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.458 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.75 -40.8 92.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.503 -0.748 . . . . 0.0 110.573 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.9 ttp180 -61.83 -38.63 88.88 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 120.691 -1.256 . . . . 0.0 110.255 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.66 -61.45 2.19 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.299 -0.876 . . . . 0.0 112.578 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.99 -40.51 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.11 -0.994 . . . . 0.0 110.041 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 113' ' ' GLY . 98.9 mtp -62.73 -39.41 93.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.843 -1.161 . . . . 0.0 110.402 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 86.0 m -63.84 -48.58 76.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.749 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.71 -37.88 73.57 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.109 -0.994 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.23 -3.58 31.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.462 -0.774 . . . . 0.0 110.943 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -145.64 -96.08 0.19 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.8 152.41 2.0 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.553 -1.557 . . . . 0.0 108.467 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.08 133.05 49.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.815 -1.178 . . . . 0.0 109.792 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.09 -170.9 1.72 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.3 p -101.28 160.24 14.58 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.075 -1.016 . . . . 0.0 108.969 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.1 -39.68 83.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.0 110.007 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.82 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.974 -1.079 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.13 -44.15 97.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.1 -29.65 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.08 -43.04 95.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.085 -1.009 . . . . 0.0 109.38 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.48 -38.5 90.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.163 -0.961 . . . . 0.0 109.911 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtt -56.15 -41.89 76.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 109.156 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.93 -43.67 89.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 109.671 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -60.06 -46.42 89.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.954 -1.091 . . . . 0.0 110.997 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.61 -38.78 90.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.973 -1.079 . . . . 0.0 111.232 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.23 -0.97 57.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 111.236 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -80.53 84.05 6.2 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.264 . . . . 0.0 110.431 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.69 -45.34 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.937 . . . . 0.0 111.164 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.0 p-10 -76.25 -25.96 55.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.127 -0.983 . . . . 0.0 109.195 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.98 21.27 63.48 Favored Glycine 0 N--CA 1.483 1.775 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.4 p-10 -79.34 -7.7 58.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.356 -1.085 . . . . 0.0 110.295 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.11 -9.84 73.21 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.2 mp0 -131.72 164.17 26.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.351 -1.088 . . . . 0.0 108.548 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.9 t -100.6 124.18 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.43 -177.48 3.33 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.937 0.875 . . . . 0.0 110.909 -177.79 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.8 m-85 -60.07 -39.99 87.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.67 -50.25 74.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.784 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -68.71 -41.63 78.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.278 -0.889 . . . . 0.0 109.545 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.6 -47.5 83.5 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.75 -0.594 . . . . 0.0 110.8 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.76 -43.68 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 O-C-N 120.043 -1.661 . . . . 0.0 108.451 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -64.86 -38.32 90.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.442 -0.786 . . . . 0.0 110.672 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.424 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 5.3 ttp . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.138 -0.976 . . . . 0.0 110.491 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -90.64 6.91 41.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.183 -0.948 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -64.87 130.62 44.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 0.0 109.201 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.2 tp -73.74 143.49 46.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -108.8 156.88 19.13 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.657 0.742 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -65.63 -39.45 91.48 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.688 -0.633 . . . . 0.0 110.406 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.69 -39.08 93.43 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.71 -39.39 91.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.844 -1.16 . . . . 0.0 110.043 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.45 -39.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.635 -1.291 . . . . 0.0 109.231 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -34.68 76.75 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.896 -1.128 . . . . 0.0 109.847 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -42.37 98.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.894 -1.129 . . . . 0.0 110.477 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.58 -19.26 29.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.868 -1.145 . . . . 0.0 109.546 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.96 -42.84 97.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.802 -1.186 . . . . 0.0 109.199 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.27 -45.97 91.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.974 -1.079 . . . . 0.0 109.007 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.85 81.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.265 -0.897 . . . . 0.0 109.383 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.12 -45.67 83.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.351 -0.843 . . . . 0.0 111.241 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.8 p -62.11 -22.19 65.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.896 -1.128 . . . . 0.0 111.687 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -42.58 86.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.441 -1.412 . . . . 0.0 110.168 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -69.42 -37.56 77.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.001 -1.062 . . . . 0.0 109.45 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.7 t0 -83.52 82.78 8.15 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.605 -1.309 . . . . 0.0 109.749 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.92 -23.97 67.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.142 -0.974 . . . . 0.0 110.015 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.33 -30.23 71.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 110.457 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 5.58 87.31 Favored Glycine 0 N--CA 1.496 2.692 0 O-C-N 120.311 -1.493 . . . . 0.0 110.179 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -88.66 2.67 52.81 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.342 -1.093 . . . . 0.0 110.027 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 10.35 85.93 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.781 -1.199 . . . . 0.0 110.272 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.2 149.2 48.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.19 -1.183 . . . . 0.0 108.955 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.6 130.43 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -106.87 158.03 17.31 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -56.17 -35.49 67.27 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.109 -0.994 . . . . 0.0 110.064 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.71 -42.1 95.52 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.299 -0.875 . . . . 0.0 109.725 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.96 -42.9 89.33 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.363 -0.836 . . . . 0.0 111.404 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' O ' ' B' ' 200' ' ' ACE . 0.5 OUTLIER -71.22 -51.88 22.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.025 . . . . 0.0 109.9 -179.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -39.55 96.34 Favored Glycine 0 N--CA 1.488 2.146 0 C-N-CA 119.46 -1.352 . . . . 0.0 109.859 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m -60.4 -46.53 89.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.994 -1.298 . . . . 0.0 109.396 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.08 -36.11 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.72 -1.237 . . . . 0.0 108.554 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.04 -32.58 72.19 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.927 -1.108 . . . . 0.0 108.87 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -58.74 -35.81 73.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.571 -0.706 . . . . 0.0 109.468 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.9 m -58.3 -34.19 70.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 109.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.56 16.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.259 -0.901 . . . . 0.0 108.874 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.08 39.8 98.45 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -118.5 161.46 19.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.616 -0.932 . . . . 0.0 110.118 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -141.42 68.75 26.34 Favored Pre-proline 0 C--N 1.297 -1.693 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.4 164.76 32.04 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.859 2.373 . . . . 0.0 112.802 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -107.46 163.52 12.98 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.874 0.845 . . . . 0.0 109.951 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.497 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.55 94.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.982 -1.073 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -44.24 94.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.985 -1.072 . . . . 0.0 110.254 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.36 -32.42 71.47 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.323 -0.861 . . . . 0.0 110.043 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.75 -48.51 80.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.019 -1.051 . . . . 0.0 110.07 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.2 -43.42 95.96 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -0.96 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' B' ' 201' ' ' MET . 22.3 mtt -64.34 -52.07 60.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.963 -1.086 . . . . 0.0 110.69 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -38.3 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.908 -1.12 . . . . 0.0 110.362 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -58.9 -37.86 77.57 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -60.49 -37.69 81.91 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.04 -1.038 . . . . 0.0 111.861 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.17 7.59 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.988 -1.07 . . . . 0.0 111.048 -179.053 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.71 107.58 14.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.928 -1.108 . . . . 0.0 109.372 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.93 -25.54 16.5 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.286 -0.884 . . . . 0.0 110.996 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 35.1 p30 -90.87 -5.84 55.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.62 26.93 67.33 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.9 p-10 -94.0 0.2 55.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.213 -1.169 . . . . 0.0 109.834 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.28 17.64 77.63 Favored Glycine 0 N--CA 1.495 2.571 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.766 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -141.23 160.75 39.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.113 -1.228 . . . . 0.0 107.976 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -101.58 121.07 52.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.443 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 60.7 m-20 -91.83 155.85 17.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.333 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -44.99 -51.58 22.52 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.554 -0.717 . . . . 0.0 112.142 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.85 -32.93 85.65 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.204 1.466 . . . . 0.0 111.628 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.26 -43.11 95.86 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.05 -43.3 99.1 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.54 -39.45 84.02 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.771 0.796 . . . . 0.0 109.567 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.5 m -62.25 -42.8 99.65 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.2 ttp -62.82 -39.59 94.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 0.0 109.69 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.17 -43.35 95.89 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.777 -1.202 . . . . 0.0 110.232 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.96 44.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.872 -1.143 . . . . 0.0 108.715 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -54.46 -20.83 8.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.568 -0.707 . . . . 0.0 109.636 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.55 -42.27 82.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.573 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -61.04 -39.74 90.95 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.17 -16.9 60.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.124 -0.985 . . . . 0.0 109.538 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 53.33 45.65 28.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 -57.73 3.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.932 -1.105 . . . . 0.0 109.51 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -85.72 -13.39 48.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.127 -0.983 . . . . 0.0 108.818 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.6 m -49.15 -37.58 22.66 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -41.43 94.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.029 -1.044 . . . . 0.0 109.015 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.33 -42.4 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.764 ' OE1' HG22 ' B' ' 203' ' ' VAL . 51.3 tp10 -67.81 -40.27 83.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.169 -0.957 . . . . 0.0 109.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.28 -46.29 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.507 -0.877 . . . . 0.0 108.682 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.55 -39.31 77.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.553 -1.342 . . . . 0.0 110.359 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -68.46 -39.17 81.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.861 -1.149 . . . . 0.0 110.672 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.76 70.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.334 -0.854 . . . . 0.0 110.697 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.4 t80 -58.97 -38.05 78.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 108.761 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -63.47 -37.54 87.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.658 -0.651 . . . . 0.0 109.86 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.22 -41.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.997 -1.065 . . . . 0.0 109.352 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -40.0 82.39 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.09 -1.006 . . . . 0.0 108.856 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -82.45 83.0 7.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.078 -1.013 . . . . 0.0 110.005 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 63.8 tttm -66.3 -39.85 89.6 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.556 -0.715 . . . . 0.0 111.321 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -67.66 -29.12 68.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.971 -1.081 . . . . 0.0 110.824 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.31 11.55 84.12 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 26.9 p-10 -70.6 -8.81 54.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.042 -1.269 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.22 -4.73 82.93 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 68.4 m-85 -133.11 139.96 47.39 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.7 mt -95.51 120.65 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.745 -1.222 . . . . 0.0 109.728 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -91.37 165.88 13.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.217 -0.927 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.53 97.44 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.689 -0.632 . . . . 0.0 112.057 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.7 88.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.517 -1.364 . . . . 0.0 109.678 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -62.7 -41.51 99.16 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.582 -0.699 . . . . 0.0 111.968 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.558 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.8 tt -64.14 -36.38 83.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -66.72 -34.27 77.47 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.724 -1.235 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -58.27 -57.45 12.81 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.204 -0.935 . . . . 0.0 113.029 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.16 -39.37 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.978 -1.076 . . . . 0.0 108.742 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.558 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.9 mtp -62.75 -38.61 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.925 -1.11 . . . . 0.0 110.331 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -66.73 -40.58 88.41 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.253 -0.905 . . . . 0.0 110.937 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.51 -21.42 65.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.32 12.45 34.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.0 109.641 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.76 20.86 79.91 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.53 143.49 40.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.585 -0.95 . . . . 0.0 109.589 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -160.56 134.09 6.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.829 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.99 -170.65 1.91 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 p -98.25 160.59 14.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.047 -1.033 . . . . 0.0 109.114 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.42 -40.48 86.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 110.112 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.46 -41.6 94.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 108.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -63.28 -44.24 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 109.863 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.02 -37.57 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.49 -47.18 85.09 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.105 -0.997 . . . . 0.0 109.978 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 110.301 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.0 ttt -59.59 -43.1 93.77 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 109.445 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.13 -40.57 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.924 . . . . 0.0 108.646 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.31 -46.23 90.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 110.378 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -66.26 -42.33 88.66 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.924 -1.11 . . . . 0.0 111.475 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.83 -16.38 59.45 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.963 -1.085 . . . . 0.0 110.538 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -70.42 93.49 0.88 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.959 -1.088 . . . . 0.0 109.595 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.19 -46.42 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.632 -0.667 . . . . 0.0 111.475 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.3 p-10 -75.05 -25.8 58.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.149 -0.969 . . . . 0.0 108.69 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.81 19.87 62.54 Favored Glycine 0 N--CA 1.479 1.547 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 57.0 p-10 -77.09 -9.3 58.64 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.331 -1.099 . . . . 0.0 109.84 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.47 -11.2 68.84 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.1 mp0 -131.26 160.67 34.22 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.346 -1.09 . . . . 0.0 108.381 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.29 124.9 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.597 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 178.45 4.48 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.939 0.876 . . . . 0.0 110.307 -178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.5 m-85 -59.66 -38.58 81.83 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.38 -50.25 74.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.51 -41.06 85.05 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.136 -0.978 . . . . 0.0 109.265 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.727 -0.608 . . . . 0.0 110.604 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.52 -43.09 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.038 -1.664 . . . . 0.0 108.29 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -64.45 -37.99 89.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.474 -0.766 . . . . 0.0 110.549 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.3 ttp -61.22 -37.75 84.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.03 -1.044 . . . . 0.0 109.963 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.7 mmm -82.21 -22.08 36.11 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.3 -0.875 . . . . 0.0 112.388 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.26 55.19 3.39 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.246 -1.534 . . . . 0.0 109.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.29 145.4 32.81 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.293 -0.879 . . . . 0.0 109.799 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.286 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.413 ' O ' HD22 ' A' ' 32' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.526 ' H ' ' HB3' ' B' ' 204' ' ' PHE . 20.0 mtp -143.78 152.92 41.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.792 . . . . 0.0 109.063 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 21.8 p-10 -52.06 -47.92 64.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.781 -1.2 . . . . 0.0 108.595 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.764 HG22 ' OE1' ' A' ' 84' ' ' GLU . 10.5 p -73.92 -38.51 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.207 -0.933 . . . . 0.0 109.629 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.526 ' HB3' ' H ' ' B' ' 201' ' ' MET . 32.6 t80 -55.09 -46.07 75.48 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.646 -1.284 . . . . 0.0 109.385 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.2 mtp -60.88 -35.78 77.51 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.49 -37.22 77.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.342 -0.849 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.33 -37.29 91.72 Favored Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.371 -0.831 . . . . 0.0 111.146 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 6.2 mt -47.87 -45.28 30.13 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.694 -1.474 . . . . 0.0 109.935 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 90.2 p -64.34 -38.91 92.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 110.479 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -64.18 -40.08 95.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.903 -1.123 . . . . 0.0 110.126 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -79.89 -9.1 59.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 109.536 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.546 ' O ' HG23 ' B' ' 216' ' ' VAL . 64.5 tttm -92.13 -80.33 0.36 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.121 -0.987 . . . . 0.0 109.377 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.43 -41.46 89.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.192 -0.942 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.3 -43.05 99.86 Favored Glycine 0 N--CA 1.499 2.853 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.66 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -23.01 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.663 -1.492 . . . . 0.0 110.45 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 212' ' ' LYS . 52.0 t -62.95 -38.11 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.36 3.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' B' ' 219' ' ' ALA . . . -60.15 -39.96 88.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.8 -1.188 . . . . 0.0 109.242 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' B' ' 218' ' ' ALA . . . 177.89 -38.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.518 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -87.86 -3.6 58.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.316 -0.865 . . . . 0.0 109.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -62.75 -40.07 96.11 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.89 . . . . 0.0 109.54 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.9 tp -116.62 143.46 45.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -108.09 156.62 19.07 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.605 0.717 . . . . 0.0 110.621 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -65.87 -40.38 91.57 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.614 -0.679 . . . . 0.0 110.2 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -63.0 -38.54 91.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.156 -0.965 . . . . 0.0 110.185 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -60.47 -40.36 90.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 0.0 109.683 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.27 -39.09 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.863 -1.148 . . . . 0.0 109.744 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.5 74.92 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.824 -1.172 . . . . 0.0 109.821 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.09 -42.18 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.794 -1.191 . . . . 0.0 110.248 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -86.82 -17.94 32.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.954 -1.091 . . . . 0.0 109.642 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.19 -43.36 95.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.483 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.81 -43.06 98.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.223 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.05 79.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.883 . . . . 0.0 109.299 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.89 -44.83 82.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.334 -0.854 . . . . 0.0 111.318 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.09 -37.42 82.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.025 -1.047 . . . . 0.0 111.66 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -42.02 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.685 -1.259 . . . . 0.0 110.748 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -69.96 -36.96 75.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.83 -1.169 . . . . 0.0 109.561 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 26' ' ' THR . 60.8 t0 -83.69 82.94 8.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.694 -1.254 . . . . 0.0 109.278 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.28 -24.48 67.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.172 -0.955 . . . . 0.0 110.109 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.43 -30.41 71.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.48 5.53 89.23 Favored Glycine 0 N--CA 1.496 2.663 0 O-C-N 120.282 -1.511 . . . . 0.0 109.942 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -88.92 4.29 48.47 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.372 -1.075 . . . . 0.0 110.01 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.38 84.63 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.7 p -136.89 150.13 48.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -1.163 . . . . 0.0 109.244 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -103.89 131.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.6 p -111.29 159.92 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.244 0.545 . . . . 0.0 109.727 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.15 -33.23 62.76 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.345 -0.847 . . . . 0.0 110.502 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.52 -39.17 74.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 110.124 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.07 -42.11 85.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.027 -1.045 . . . . 0.0 111.056 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -56.44 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 0.0 110.659 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.76 -40.44 98.13 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.097 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -60.03 -46.58 89.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.975 -1.309 . . . . 0.0 109.418 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.56 -38.96 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.823 -1.173 . . . . 0.0 109.202 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.91 -28.82 69.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.764 -1.21 . . . . 0.0 108.84 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.08 -35.51 75.35 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.436 -0.79 . . . . 0.0 109.455 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -57.43 -35.0 69.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 0.0 108.802 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.54 20.68 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.275 -0.891 . . . . 0.0 108.786 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.2 41.8 91.75 Favored Glycine 0 N--CA 1.485 1.954 0 O-C-N 121.304 -0.872 . . . . 0.0 111.104 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' NE2' ' CG ' ' B' ' 201' ' ' MET . 37.3 mm-40 -113.8 151.88 31.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.41 -1.053 . . . . 0.0 109.488 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -142.04 65.81 19.74 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.84 165.05 27.08 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.985 2.456 . . . . 0.0 112.406 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -104.08 163.83 12.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.631 0.729 . . . . 0.0 109.471 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.08 -41.94 97.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.371 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.27 93.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.004 -1.06 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.97 -43.99 94.09 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.024 -1.047 . . . . 0.0 110.402 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.19 -24.41 63.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.148 -0.97 . . . . 0.0 109.872 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -59.52 -47.7 84.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.955 -1.091 . . . . 0.0 109.389 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.39 -39.95 92.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.217 -0.927 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 ttt -60.03 -53.71 54.64 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.201 -0.937 . . . . 0.0 110.65 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.83 -36.16 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.146 -0.971 . . . . 0.0 110.584 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -58.08 -36.75 73.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.54 -0.725 . . . . 0.0 110.672 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.04 -17.26 16.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.039 -1.038 . . . . 0.0 110.888 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -135.17 24.58 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 121.113 -0.992 . . . . 0.0 111.965 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.46 100.12 12.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.395 -1.441 . . . . 0.0 108.936 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.57 -17.27 22.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.184 -0.947 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -90.28 -14.66 32.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.054 -1.029 . . . . 0.0 108.483 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.03 18.99 69.52 Favored Glycine 0 N--CA 1.483 1.78 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.12 2.05 55.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.584 -0.951 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.79 74.92 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.1 p -142.3 160.5 40.12 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.225 -1.162 . . . . 0.0 108.203 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.86 120.09 48.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.228 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -89.07 154.05 20.49 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.399 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -44.73 -54.18 13.5 Favored Pre-proline 0 C--N 1.3 -1.584 0 O-C-N 121.083 -1.011 . . . . 0.0 112.137 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.69 -32.93 97.9 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 CA-C-N 120.923 1.365 . . . . 0.0 111.509 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -64.22 -42.95 96.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.628 -1.295 . . . . 0.0 107.649 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.67 -44.72 96.41 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.467 0.651 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.97 -39.9 79.29 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.695 0.76 . . . . 0.0 109.993 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.1 m -63.81 -43.34 96.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.8 -0.563 . . . . 0.0 109.8 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 ttp -64.14 -40.23 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.573 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.92 -42.14 93.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.005 -1.06 . . . . 0.0 110.356 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.87 -24.12 48.62 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.962 -1.086 . . . . 0.0 109.049 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.29 -18.61 11.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.81 . . . . 0.0 109.907 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HZ3' ' CB ' ' B' ' 209' ' ' SER . 39.0 ttpt -57.51 -43.19 84.07 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.36 90.25 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -69.51 -22.75 63.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.04 -1.037 . . . . 0.0 109.228 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 53.94 46.35 25.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.394 -0.816 . . . . 0.0 110.303 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -63.43 1.34 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.04 -1.038 . . . . 0.0 109.495 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 97.8 m-20 -88.15 -12.22 44.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.045 -1.034 . . . . 0.0 108.672 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -48.21 -33.94 9.35 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.147 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.12 -41.94 98.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.899 -1.125 . . . . 0.0 108.479 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.03 -45.57 84.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.537 -0.727 . . . . 0.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' B' ' 203' ' ' VAL . 6.5 mp0 -67.44 -36.95 82.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.351 -0.843 . . . . 0.0 110.473 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.45 -44.21 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.259 -0.901 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.64 -38.25 83.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.664 -1.272 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' OE1' ' OD1' ' B' ' 202' ' ' ASP . 82.2 tt0 -64.64 -38.3 90.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 0.0 109.85 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -29.77 34.74 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.162 -0.961 . . . . 0.0 109.265 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.7 t80 -57.85 -38.93 76.55 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.33 -40.7 98.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.548 -0.72 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -74.49 -41.42 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.093 -1.004 . . . . 0.0 109.256 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.57 -40.11 73.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.164 -0.96 . . . . 0.0 109.287 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -79.94 81.52 6.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.462 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.544 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -66.6 -42.57 86.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.703 . . . . 0.0 111.315 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -68.17 -27.03 66.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.984 -1.072 . . . . 0.0 110.822 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.01 14.05 80.56 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.015 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.543 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 37.0 p-10 -69.65 -7.28 37.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.945 -1.327 . . . . 0.0 108.863 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.99 82.89 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 64.2 m-85 -133.24 142.21 48.43 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' OE1' ' A' ' 104' ' ' GLU . 80.0 mt -95.17 120.88 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.44 -1.413 . . . . 0.0 109.598 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -94.08 165.88 12.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.27 97.1 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.702 -0.623 . . . . 0.0 111.934 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.08 89.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.521 -1.362 . . . . 0.0 109.652 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.5 tt0 -63.13 -42.08 99.44 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.585 -0.697 . . . . 0.0 111.965 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.587 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.6 tt -62.82 -35.5 80.12 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 110.937 -177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.28 -37.95 84.26 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -56.17 -56.52 19.87 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.205 -0.934 . . . . 0.0 112.717 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.61 -40.28 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.079 -1.013 . . . . 0.0 108.557 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.5 mtp -63.17 -38.96 93.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.843 -1.161 . . . . 0.0 109.832 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -66.96 -40.38 87.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.453 -0.779 . . . . 0.0 110.359 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -62.72 -22.55 66.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.203 -0.936 . . . . 0.0 110.548 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.3 mt -97.88 13.58 30.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -0.942 . . . . 0.0 109.928 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.51 18.55 79.95 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -109.19 142.24 40.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.599 -0.942 . . . . 0.0 109.41 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -157.8 131.58 7.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.887 . . . . 0.0 109.603 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.511 HD21 ' HB1' ' B' ' 218' ' ' ALA . 2.0 mp -118.38 -171.07 2.01 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -99.04 161.74 13.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.081 -1.012 . . . . 0.0 109.093 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.11 -41.15 87.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -0.999 . . . . 0.0 109.984 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.41 -42.01 95.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.368 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.73 -43.46 98.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.538 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.22 -34.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.8 -43.83 94.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.106 -0.996 . . . . 0.0 109.518 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.45 -38.04 89.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.13 -0.982 . . . . 0.0 110.199 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.0 mtt -54.77 -42.16 71.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.118 -0.989 . . . . 0.0 109.625 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.88 -42.05 93.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -59.58 -46.92 87.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.868 -1.145 . . . . 0.0 110.637 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 111.622 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -0.77 57.71 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.81 -1.181 . . . . 0.0 111.204 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.03 84.31 6.51 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.697 -1.252 . . . . 0.0 110.05 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -45.73 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 111.163 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.0 p30 -76.19 -25.89 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.002 -1.061 . . . . 0.0 109.145 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.571 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.0 21.23 65.99 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 57.1 p-10 -78.88 -7.64 58.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 110.075 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.25 -11.3 68.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.6 mp0 -130.92 161.85 30.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.212 -1.17 . . . . 0.0 108.42 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.31 125.18 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.603 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.88 -178.65 3.64 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.898 0.856 . . . . 0.0 110.9 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.9 m-85 -59.43 -39.82 84.73 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.39 -50.28 74.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.412 -0.805 . . . . 0.0 109.835 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -67.72 -42.36 82.05 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.554 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.44 -47.56 83.5 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.756 -0.59 . . . . 0.0 111.006 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.94 -43.36 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 119.97 -1.706 . . . . 0.0 108.575 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.12 -36.92 85.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 110.762 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.7 ttp -60.18 -38.4 83.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 110.219 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.1 mtp -80.55 -20.47 43.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.124 -0.985 . . . . 0.0 112.642 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.42 56.12 3.81 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.186 -1.571 . . . . 0.0 109.837 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.52 139.09 41.53 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.2 -0.937 . . . . 0.0 109.537 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.384 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.424 ' O ' ' OE2' ' A' ' 87' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.568 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 93.2 mmm -102.78 20.63 16.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.461 -0.774 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 43.9 p-10 -54.94 -34.85 63.61 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 118.954 -1.099 . . . . 0.0 109.331 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 4.2 p -66.82 -22.59 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 110.367 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.39 -48.65 76.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.644 -1.285 . . . . 0.0 109.474 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.0 mtp -65.61 -43.83 88.4 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 120.908 -1.12 . . . . 0.0 110.328 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.74 -40.08 69.64 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 110.547 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -70.22 -1.1 32.75 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.8 OUTLIER -36.93 -56.07 0.88 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.813 -0.816 . . . . 0.0 110.13 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 75' ' ' LYS . 73.7 m -68.67 -40.26 80.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.964 -1.085 . . . . 0.0 110.104 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -84.29 6.59 22.33 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -61.97 -24.95 67.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.013 -1.054 . . . . 0.0 109.679 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -166.58 -6.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.91 -1.119 . . . . 0.0 110.098 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.404 ' O ' HG12 ' B' ' 216' ' ' VAL . 88.9 tt0 -61.64 -50.01 74.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.021 . . . . 0.0 110.993 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.5 -44.85 94.6 Favored Glycine 0 N--CA 1.502 3.076 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.76 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 217' ' ' ALA . 0.5 OUTLIER -71.63 -10.97 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.912 -1.346 . . . . 0.0 110.706 -179.146 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 213' ' ' GLU . 2.9 p -50.5 -9.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.881 -1.137 . . . . 0.0 109.735 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 215' ' ' VAL . . . -61.55 -38.53 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.176 -0.953 . . . . 0.0 110.597 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.663 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -59.66 -39.85 85.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.02 -1.05 . . . . 0.0 110.192 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 74.63 169.65 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.219 -0.926 . . . . 0.0 109.461 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.312 0.577 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -81.95 -7.7 59.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 18.4 mp0 -62.77 -40.37 97.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.147 -0.97 . . . . 0.0 109.452 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 9' ' ' ILE . 1.7 tp -87.33 143.14 27.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.0 108.999 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -109.17 155.86 20.54 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.697 0.761 . . . . 0.0 110.874 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.13 -38.26 85.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.795 -0.566 . . . . 0.0 109.763 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.65 -41.6 99.14 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.16 -0.962 . . . . 0.0 110.5 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.84 -39.85 94.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.072 -1.018 . . . . 0.0 110.543 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.476 HD11 HD23 ' A' ' 4' ' ' LEU . 70.5 mt -59.98 -39.91 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.443 -1.411 . . . . 0.0 109.376 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.26 75.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.878 -1.139 . . . . 0.0 109.867 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.89 -41.55 96.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 110.232 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -85.67 -19.15 31.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.927 -1.108 . . . . 0.0 109.202 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.65 -41.84 95.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.838 -1.164 . . . . 0.0 109.236 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.97 -43.14 99.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.916 -1.115 . . . . 0.0 109.092 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.15 80.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.195 -0.941 . . . . 0.0 109.167 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.28 -44.92 84.45 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.736 . . . . 0.0 111.378 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -60.93 -37.17 81.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.039 -1.038 . . . . 0.0 112.005 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -42.98 69.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.296 . . . . 0.0 110.656 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -67.25 -37.85 84.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.787 -1.195 . . . . 0.0 109.165 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 26' ' ' THR . 33.2 t70 -85.73 86.22 7.37 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.469 -1.394 . . . . 0.0 110.009 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.03 -38.28 88.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.483 -0.761 . . . . 0.0 111.369 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.2 p30 -64.33 -24.01 67.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.711 -1.243 . . . . 0.0 110.427 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.74 18.37 78.74 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD2' ' OD2' ' A' ' 22' ' ' ASP . 58.5 p-10 -80.94 -0.56 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.122 -1.223 . . . . 0.0 109.474 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.75 90.22 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.4 p -134.9 146.31 49.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.041 . . . . 0.0 108.444 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.6 mt -99.27 132.25 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 109.347 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -109.34 158.66 17.69 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.379 0.609 . . . . 0.0 110.485 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 p -57.76 -35.53 70.88 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.404 -0.81 . . . . 0.0 110.685 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.16 -39.61 86.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.036 -1.04 . . . . 0.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.23 -40.97 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.367 -0.833 . . . . 0.0 111.003 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 ' H ' ' B' ' 201' ' ' MET . 10.0 mt -70.63 -53.35 16.2 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.267 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.61 99.18 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.542 -1.313 . . . . 0.0 109.891 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -59.98 -46.61 88.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -1.226 . . . . 0.0 109.131 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.6 -38.03 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.784 -1.197 . . . . 0.0 108.974 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.6 ttp -66.27 -29.33 69.54 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.753 -1.217 . . . . 0.0 108.651 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.12 -37.99 81.7 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.807 . . . . 0.0 109.625 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.9 m -57.66 -32.41 67.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.189 -0.945 . . . . 0.0 108.851 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -68.45 19.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.81 38.39 95.51 Favored Glycine 0 N--CA 1.485 1.935 0 O-C-N 121.05 -1.032 . . . . 0.0 111.002 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -111.16 154.87 23.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.467 -1.02 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -138.51 69.74 45.84 Favored Pre-proline 0 C--N 1.296 -1.734 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.95 163.41 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.899 2.4 . . . . 0.0 113.084 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -106.8 164.04 12.44 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.748 0.785 . . . . 0.0 109.151 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.83 95.17 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.345 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.8 95.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.915 -1.116 . . . . 0.0 110.346 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.08 -45.83 86.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.982 -1.074 . . . . 0.0 110.308 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.36 -34.29 76.99 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.378 -0.826 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -58.55 -47.7 83.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.004 . . . . 0.0 109.328 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.55 -39.54 93.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 110.355 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 35.4 mtt -59.0 -51.22 71.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.852 -1.155 . . . . 0.0 110.322 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.51 -35.98 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.071 -1.018 . . . . 0.0 111.006 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -55.91 -32.99 64.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.817 . . . . 0.0 110.313 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -62.37 -20.07 64.04 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 111.805 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -133.68 28.83 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 O-C-N 120.939 -1.101 . . . . 0.0 111.557 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -92.14 103.07 15.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.797 -1.189 . . . . 0.0 108.671 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 -27.78 15.86 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.028 -1.045 . . . . 0.0 110.577 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p30 -85.65 -13.02 49.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.842 -1.161 . . . . 0.0 109.033 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.72 22.95 72.18 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -93.81 1.52 56.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.378 -1.072 . . . . 0.0 110.078 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 19.32 76.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.438 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.0 p -140.55 162.23 35.85 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.3 mt -103.93 120.91 54.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.94 153.86 19.87 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.4 t80 -45.05 -51.69 22.55 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.312 -0.868 . . . . 0.0 111.871 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.74 -33.08 96.47 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.926 1.367 . . . . 0.0 111.345 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.63 -44.14 91.45 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.602 -1.311 . . . . 0.0 107.659 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -60.95 -43.89 98.07 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.615 0.722 . . . . 0.0 110.077 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.09 -39.8 83.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.693 0.759 . . . . 0.0 109.672 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.65 -43.68 98.4 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.563 ' CG ' ' HZ3' ' B' ' 206' ' ' LYS . 17.5 ttp -63.21 -40.2 96.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.74 -43.77 94.08 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.912 -1.117 . . . . 0.0 110.504 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.64 -24.2 45.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.96 -1.088 . . . . 0.0 108.793 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.58 -18.25 7.18 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.465 -0.772 . . . . 0.0 109.729 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HZ2' ' HA ' ' B' ' 210' ' ' LYS . 64.8 tttp -57.39 -45.9 84.03 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 3.7 mpp? -64.0 -44.12 93.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.065 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -71.24 -37.78 71.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.077 . . . . 0.0 109.997 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.473 ' CG ' ' NZ ' ' B' ' 210' ' ' LYS . 46.9 t0 57.79 56.18 4.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.482 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -67.04 0.85 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.193 -0.942 . . . . 0.0 109.779 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.74 -25.41 21.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 108.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.8 t -49.47 -30.29 7.96 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.66 -45.28 89.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 108.761 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.91 -41.11 95.47 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.529 -0.732 . . . . 0.0 109.859 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.56 -20.15 60.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.044 -1.035 . . . . 0.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -41.67 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 109.027 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.88 -38.45 91.02 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.467 -1.396 . . . . 0.0 110.242 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.92 -36.45 84.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.875 -1.141 . . . . 0.0 109.572 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.58 -31.74 62.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 109.572 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 41.5 t80 -55.28 -37.54 67.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.049 -1.032 . . . . 0.0 108.384 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -62.35 -40.8 97.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.44 -0.787 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -39.62 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -73.64 -42.24 61.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.18 82.94 7.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 109.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -65.93 -42.86 89.55 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.645 -0.66 . . . . 0.0 111.434 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -67.96 -26.68 66.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.909 -1.12 . . . . 0.0 110.877 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.49 15.12 80.55 Favored Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.548 -1.31 . . . . 0.0 109.869 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.536 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 36.1 p-10 -70.33 -8.73 52.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.298 . . . . 0.0 109.069 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.33 -7.22 81.84 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 76.0 m-85 -132.38 137.51 47.37 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.8 mt -91.18 122.24 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.301 -1.499 . . . . 0.0 109.789 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p -94.55 166.13 12.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.206 -0.934 . . . . 0.0 110.531 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.75 97.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.743 -0.598 . . . . 0.0 111.693 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.54 91.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.54 -1.35 . . . . 0.0 109.583 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.7 tt0 -63.04 -41.61 99.55 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.544 -0.723 . . . . 0.0 111.608 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.56 HD23 ' SD ' ' A' ' 109' ' ' MET . 2.7 tt -64.84 -37.85 89.02 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.981 -1.074 . . . . 0.0 111.307 -177.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.23 -37.42 87.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.835 -1.166 . . . . 0.0 110.725 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.63 -56.59 19.98 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.33 -0.856 . . . . 0.0 112.543 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.99 -39.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.241 -0.912 . . . . 0.0 109.022 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.56 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.6 mtp -62.44 -38.17 88.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.972 -1.08 . . . . 0.0 110.446 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.0 m -64.8 -40.51 95.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.247 -0.908 . . . . 0.0 110.46 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.58 -23.21 67.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 110.638 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.8 mt -94.87 9.7 38.18 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.154 -0.966 . . . . 0.0 109.773 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.92 18.5 80.16 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.27 143.17 40.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.605 -0.938 . . . . 0.0 109.47 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -157.76 130.99 7.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.0 109.684 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.39 -170.28 1.78 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.2 p -100.67 161.46 13.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.086 -1.009 . . . . 0.0 109.16 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.99 -40.71 85.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.189 -0.944 . . . . 0.0 110.087 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.18 -41.85 93.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 108.989 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.27 -37.7 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.09 -47.35 86.7 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.058 -1.026 . . . . 0.0 109.867 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.69 -38.4 89.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ttt -59.02 -43.67 91.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.969 -1.082 . . . . 0.0 109.165 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.64 -39.12 83.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 108.798 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.1 -47.33 86.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.75 -40.19 72.85 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.013 -1.054 . . . . 0.0 112.184 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 -20.81 59.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.867 -1.145 . . . . 0.0 110.643 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -68.57 97.96 0.83 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.947 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -45.56 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.572 -0.705 . . . . 0.0 111.085 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.7 p-10 -75.02 -25.13 58.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 108.749 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.5 19.78 57.79 Favored Glycine 0 N--CA 1.48 1.63 0 C-N-CA 119.515 -1.326 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -80.26 -5.18 55.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.294 -1.121 . . . . 0.0 110.064 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.76 -0.67 81.4 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -137.55 154.54 49.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.412 -1.052 . . . . 0.0 108.424 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.65 122.31 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.36 -175.38 2.76 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.833 0.825 . . . . 0.0 110.327 -177.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.4 m-85 -61.21 -39.77 91.46 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.85 -51.03 71.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.303 -0.873 . . . . 0.0 109.896 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -67.39 -41.19 85.39 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.114 -0.992 . . . . 0.0 109.343 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -62.49 -47.75 82.61 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.725 -0.609 . . . . 0.0 110.554 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.413 ' O ' ' HE2' ' A' ' 145' ' ' MET . 86.2 t -68.29 -42.38 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.154 -1.591 . . . . 0.0 108.248 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -69.62 -36.48 76.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 112.221 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttt -58.64 -48.43 81.06 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.813 -1.179 . . . . 0.0 110.844 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.413 ' HE2' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -68.12 -5.54 18.37 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.132 -0.98 . . . . 0.0 112.832 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -94.04 52.36 1.62 Allowed 'General case' 0 N--CA 1.51 2.566 0 O-C-N 120.213 -1.554 . . . . 0.0 109.523 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.16 140.26 39.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.57 -0.706 . . . . 0.0 109.32 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.397 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.525 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.213 -0.824 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.575 ' H ' HD22 ' A' ' 32' ' ' LEU . 96.8 mtp -104.6 19.98 19.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 28.8 p-10 -55.85 -52.15 65.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.056 -1.028 . . . . 0.0 111.151 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.419 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 7.6 p -75.32 -28.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.501 -1.374 . . . . 0.0 111.457 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.78 -49.0 66.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.923 -1.111 . . . . 0.0 110.929 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 5.8 ptp -87.52 -34.3 18.66 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.863 -1.148 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.563 ' HZ3' ' CG ' ' A' ' 71' ' ' MET . 13.5 ttmm -65.27 -39.94 93.27 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.897 -1.127 . . . . 0.0 110.19 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.92 -41.07 99.17 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.908 -1.139 . . . . 0.0 110.847 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.536 ' O ' HD12 ' B' ' 208' ' ' LEU . 0.1 OUTLIER -76.78 -47.11 22.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.708 -1.466 . . . . 0.0 109.001 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' B' ' 208' ' ' LEU . 87.8 p -64.28 -39.69 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.088 -1.007 . . . . 0.0 109.111 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.473 ' NZ ' ' CG ' ' A' ' 78' ' ' ASP . 56.4 tptt -63.85 -45.46 89.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.167 -0.958 . . . . 0.0 108.977 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -71.7 -21.8 61.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.345 -0.847 . . . . 0.0 109.524 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.463 ' O ' HG12 ' B' ' 215' ' ' VAL . 64.6 tttm -61.03 -44.46 97.38 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.088 -1.008 . . . . 0.0 108.939 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -40.03 95.74 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.0 109.599 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' B' ' 216' ' ' VAL . . . -60.13 -39.52 95.94 Favored Glycine 0 N--CA 1.498 2.825 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.641 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.5 OUTLIER -55.47 -9.68 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.574 -1.545 . . . . 0.0 109.558 -179.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' B' ' 214' ' ' GLY . 52.9 t -61.96 -39.04 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.33 -0.856 . . . . 0.0 109.774 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -54.33 -10.16 0.36 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.076 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' B' ' 219' ' ' ALA . . . -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.95 -1.094 . . . . 0.0 109.271 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' B' ' 218' ' ' ALA . . . 179.18 -80.5 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.883 . . . . 0.0 109.431 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -83.99 75.81 10.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.0 109.141 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 53.61 -163.79 0.1 Allowed 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 4' ' ' LEU . 8.5 tp -78.91 142.51 36.69 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.114 -0.991 . . . . 0.0 109.035 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.8 p -108.03 156.5 19.18 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.575 0.703 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.02 -42.17 94.65 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.625 -0.672 . . . . 0.0 110.273 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -62.69 -33.57 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.118 -0.989 . . . . 0.0 110.551 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.03 -41.21 97.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.304 -0.873 . . . . 0.0 109.409 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.99 -39.82 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.926 -1.108 . . . . 0.0 109.815 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.42 74.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.152 . . . . 0.0 109.749 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.984 -1.072 . . . . 0.0 110.24 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.9 -18.22 31.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.837 -1.164 . . . . 0.0 109.647 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -63.55 -43.54 96.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.744 -1.222 . . . . 0.0 109.323 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.62 -45.82 92.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.138 -0.976 . . . . 0.0 109.031 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.17 83.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.343 -0.848 . . . . 0.0 109.423 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.5 -45.6 84.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.334 -0.853 . . . . 0.0 111.095 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.1 p -62.84 -21.89 66.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.897 -1.127 . . . . 0.0 111.676 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -41.56 88.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.457 -1.402 . . . . 0.0 110.074 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.52 -36.56 73.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.058 -1.026 . . . . 0.0 109.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 26' ' ' THR . 56.3 t0 -82.55 83.26 7.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.657 -1.277 . . . . 0.0 109.654 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.53 -25.53 68.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.29 -0.881 . . . . 0.0 110.06 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.19 -28.62 70.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.142 -0.974 . . . . 0.0 110.461 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 6.34 86.28 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 120.374 -1.454 . . . . 0.0 110.126 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -88.94 3.81 50.18 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.285 -1.127 . . . . 0.0 109.911 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.58 86.86 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.815 -1.183 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 80.8 p -136.0 150.35 49.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -1.11 . . . . 0.0 108.967 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.84 130.71 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -108.06 157.49 18.21 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.232 0.539 . . . . 0.0 109.701 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -55.38 -35.44 65.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.035 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.81 -41.62 91.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.95 -41.61 91.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 111.551 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' B' ' 200' ' ' ACE . 0.3 OUTLIER -71.13 -55.75 7.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 0.0 110.506 -178.297 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.3 96.74 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.48 -1.343 . . . . 0.0 109.965 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -46.96 88.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.121 -1.223 . . . . 0.0 110.046 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.19 -38.31 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.638 -1.289 . . . . 0.0 109.327 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.562 ' SD ' ' SD ' ' B' ' 201' ' ' MET . 38.3 ttp -63.96 -34.64 78.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -55.38 -33.95 63.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.5 m -59.33 -35.89 74.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 108.88 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -66.72 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 69.03 35.6 78.99 Favored Glycine 0 N--CA 1.485 1.9 0 O-C-N 121.184 -0.947 . . . . 0.0 111.55 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -114.29 156.48 24.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -1.108 . . . . 0.0 109.747 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.0 p30 -143.07 71.9 18.42 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.738 -0.601 . . . . 0.0 109.894 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -76.53 163.39 32.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.827 2.351 . . . . 0.0 112.926 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -103.74 169.24 8.64 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.608 0.718 . . . . 0.0 109.576 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.0 -42.24 93.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.597 -0.69 . . . . 0.0 110.275 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 96.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.084 -1.01 . . . . 0.0 110.604 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.34 -45.28 88.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.595 -1.315 . . . . 0.0 109.761 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.16 -38.15 87.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.464 -0.773 . . . . 0.0 110.695 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -59.85 -46.82 88.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.893 -1.129 . . . . 0.0 109.682 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -61.07 -43.95 98.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.206 -0.934 . . . . 0.0 110.39 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 mtt -60.78 -55.22 35.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 111.111 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -38.56 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.914 -1.116 . . . . 0.0 110.591 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -57.43 -34.97 69.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.62 -18.52 42.15 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.213 -0.929 . . . . 0.0 111.739 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -133.06 23.74 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 120.99 -1.069 . . . . 0.0 111.878 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.18 103.58 16.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.604 -1.31 . . . . 0.0 108.453 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 -24.67 17.54 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.009 -1.057 . . . . 0.0 110.872 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 19.5 p30 -89.52 -7.89 53.96 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.75 -1.219 . . . . 0.0 108.909 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.15 24.07 68.49 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.6 p30 -94.44 2.06 55.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.42 -1.047 . . . . 0.0 110.08 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.87 21.21 75.05 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -141.41 160.02 41.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.126 -1.22 . . . . 0.0 107.994 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.3 mt -100.63 121.46 51.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.41 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -91.19 155.04 18.89 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.84 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.2 t80 -45.82 -52.78 23.52 Favored Pre-proline 0 C--N 1.299 -1.603 0 O-C-N 121.338 -0.851 . . . . 0.0 111.978 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.42 -33.62 97.4 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 120.824 1.33 . . . . 0.0 111.379 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.27 -43.39 94.99 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.03 -45.52 93.22 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.638 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.72 -41.0 80.89 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.787 0.803 . . . . 0.0 109.691 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -63.3 -42.75 99.09 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.5 ttp -63.19 -42.02 99.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.247 -0.908 . . . . 0.0 109.382 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 110.483 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 -25.02 48.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.891 -1.131 . . . . 0.0 108.957 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -51.57 -17.79 0.94 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.362 -0.836 . . . . 0.0 108.928 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' N ' ' HZ1' ' B' ' 206' ' ' LYS . 63.4 tttm -58.99 -42.41 89.98 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -62.3 -39.36 92.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.798 -0.564 . . . . 0.0 109.68 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.51 -12.73 60.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.011 -1.056 . . . . 0.0 109.8 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 96.2 m-20 52.41 44.53 29.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 110.467 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -60.04 2.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.89 -1.131 . . . . 0.0 109.41 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.93 -10.91 54.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 108.548 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 m -48.57 -37.62 18.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.7 -43.44 98.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.568 -1.332 . . . . 0.0 109.572 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.21 -41.57 73.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.257 -0.902 . . . . 0.0 112.753 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.3 -31.71 65.95 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.498 -1.376 . . . . 0.0 110.613 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 145' ' ' MET . 68.4 mt -64.25 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.113 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.84 -38.4 88.8 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.662 -1.274 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.73 -38.71 91.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.15 -35.55 69.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.23 -0.919 . . . . 0.0 110.311 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 36.9 t80 -58.59 -39.42 80.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.886 -1.134 . . . . 0.0 108.662 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.6 -40.02 95.59 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.673 -0.642 . . . . 0.0 110.218 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.91 -41.84 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.12 -0.987 . . . . 0.0 109.39 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -70.7 -41.1 72.42 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.651 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -83.49 85.83 7.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.835 -1.166 . . . . 0.0 110.264 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -67.14 -39.63 86.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.678 -0.639 . . . . 0.0 111.434 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.68 -29.25 68.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.971 -1.08 . . . . 0.0 110.9 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.16 84.71 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.391 -1.385 . . . . 0.0 109.655 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.9 p-10 -69.32 -7.13 34.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.076 -1.249 . . . . 0.0 109.284 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.11 -3.51 85.66 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 62.6 m-85 -134.34 140.93 46.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.6 mt -95.95 122.02 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.841 -1.162 . . . . 0.0 109.829 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -95.11 167.06 11.61 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.238 -0.914 . . . . 0.0 110.96 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.08 98.13 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.74 -0.6 . . . . 0.0 112.193 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -38.25 90.38 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.4 -1.437 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.574 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -63.38 -41.87 98.81 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.647 -0.658 . . . . 0.0 112.042 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.4 tt -64.13 -36.48 84.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.031 -1.043 . . . . 0.0 111.633 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -67.18 -33.96 76.51 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.733 -1.23 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -57.77 -57.41 12.86 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.17 -0.956 . . . . 0.0 112.829 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.71 -39.41 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.086 -1.009 . . . . 0.0 108.895 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.569 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.9 mtp -62.55 -38.82 91.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.966 -1.084 . . . . 0.0 110.446 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -66.99 -40.11 87.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.215 -0.928 . . . . 0.0 110.988 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -62.41 -21.52 65.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 110.589 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.74 12.82 30.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.254 -0.904 . . . . 0.0 109.893 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -112.5 144.42 42.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.59 -0.947 . . . . 0.0 109.401 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -157.64 133.3 9.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.914 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -119.53 -172.54 2.34 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -99.81 162.69 12.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.121 -0.987 . . . . 0.0 109.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.68 -39.87 85.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 110.126 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.19 -41.81 97.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.255 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.33 -43.46 97.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -0.854 . . . . 0.0 109.728 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.06 -36.91 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.77 -47.18 87.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.037 -1.04 . . . . 0.0 109.998 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 65.5 mm-40 -64.35 -38.74 92.09 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.198 -0.939 . . . . 0.0 110.495 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.9 mtt -60.78 -40.5 92.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 108.987 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.76 -40.99 79.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.65 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 46.1 ttp180 -60.69 -47.22 87.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.934 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.56 -40.11 73.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.943 -1.098 . . . . 0.0 111.888 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.41 60.14 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.848 -1.157 . . . . 0.0 111.204 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.05 97.37 0.68 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.902 -1.124 . . . . 0.0 110.219 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -48.09 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.0 111.493 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.2 p-10 -74.12 -25.83 59.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.073 -1.017 . . . . 0.0 108.709 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.31 19.51 58.64 Favored Glycine 0 N--CA 1.481 1.636 0 C-N-CA 119.491 -1.338 . . . . 0.0 110.099 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.4 p30 -78.67 -8.98 59.22 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.293 -1.121 . . . . 0.0 110.025 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.0 -9.12 75.84 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.035 -1.078 . . . . 0.0 110.53 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.0 mp0 -131.19 157.19 43.85 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.193 -1.181 . . . . 0.0 108.699 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.36 123.89 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.587 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.65 179.87 4.06 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.068 0.937 . . . . 0.0 110.779 -177.681 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 10.5 m-85 -60.06 -39.6 86.58 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.27 -49.36 78.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.91 . . . . 0.0 109.776 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.89 -39.98 79.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.242 -0.911 . . . . 0.0 109.319 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -67.56 -42.05 83.24 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.882 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.86 -38.76 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 119.99 -1.694 . . . . 0.0 108.492 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -60.65 -38.57 85.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.751 . . . . 0.0 111.233 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.3 mmt -67.32 -36.59 81.77 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.94 -1.1 . . . . 0.0 111.173 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.471 ' HB2' HD13 ' A' ' 85' ' ' ILE . 15.2 mtp -92.98 3.95 54.85 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.063 -1.023 . . . . 0.0 111.252 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.68 53.27 1.58 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.358 -0.839 . . . . 0.0 109.354 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.73 145.78 33.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.412 -0.805 . . . . 0.0 109.587 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.931 179.857 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.8 ' H1 ' ' CD2' ' B' ' 204' ' ' PHE . . . . . . . . 0 C--O 1.212 -0.883 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.562 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 21.7 mmt -59.46 152.65 21.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.226 -0.921 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 39.7 p-10 -53.27 -41.87 65.96 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.169 -1.582 . . . . 0.0 108.474 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.549 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.8 p -75.59 -31.06 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.989 -1.069 . . . . 0.0 110.317 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.8 ' CD2' ' H1 ' ' B' ' 200' ' ' ACE . 1.0 OUTLIER -53.18 -48.86 67.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.671 -1.268 . . . . 0.0 111.527 -178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.412 ' N ' ' CD2' ' B' ' 204' ' ' PHE . 25.4 ptp -62.49 -32.87 73.84 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.535 -1.353 . . . . 0.0 109.4 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.501 ' HZ1' ' N ' ' A' ' 75' ' ' LYS . 64.8 tttp -63.03 -35.54 80.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.315 -0.866 . . . . 0.0 109.026 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.04 -15.39 28.71 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 17.7 mt -58.7 -44.24 90.25 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.665 -1.491 . . . . 0.0 109.517 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 74.3 m -63.2 -42.0 99.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.091 -1.005 . . . . 0.0 109.787 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -63.88 -40.13 95.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 110.329 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -84.69 -9.91 57.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.373 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -97.68 -106.14 0.18 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 0.0 109.866 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -65.88 -26.03 67.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.927 . . . . 0.0 110.067 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.43 -39.55 97.44 Favored Glycine 0 N--CA 1.498 2.79 0 C-N-CA 119.557 -1.306 . . . . 0.0 110.142 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.14 -12.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.828 -1.396 . . . . 0.0 109.945 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 220' ' ' NH2 . 55.5 t -62.12 -38.53 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.277 -0.889 . . . . 0.0 110.5 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.93 21.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.071 -1.018 . . . . 0.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.98 87.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.613 -1.304 . . . . 0.0 109.176 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -142.63 -34.63 0.44 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 109.423 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' B' ' 216' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.85 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -76.32 -9.83 58.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.206 -0.933 . . . . 0.0 109.237 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -127.66 145.4 50.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.584 -0.697 . . . . 0.0 109.211 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -135.54 150.07 49.63 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -107.91 157.33 18.28 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.965 0.888 . . . . 0.0 111.305 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.25 -35.36 77.05 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.813 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -58.96 -42.15 89.18 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.123 -0.985 . . . . 0.0 109.582 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.64 -42.23 98.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.932 -1.105 . . . . 0.0 110.454 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.38 -44.65 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.686 -1.259 . . . . 0.0 109.812 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.98 -37.81 88.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.058 -1.026 . . . . 0.0 110.287 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.04 -43.44 98.83 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.828 -1.17 . . . . 0.0 110.822 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.07 -29.44 20.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.06 -44.83 95.83 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.082 -1.011 . . . . 0.0 109.297 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.39 -46.78 88.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.395 -0.816 . . . . 0.0 109.073 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.04 -33.61 70.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.448 -0.782 . . . . 0.0 110.261 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.05 -47.23 83.74 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.179 -0.951 . . . . 0.0 111.615 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.7 p -62.89 -21.41 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.839 -1.163 . . . . 0.0 111.102 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -39.79 84.53 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.717 -1.24 . . . . 0.0 109.573 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.42 -38.85 78.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.032 -1.043 . . . . 0.0 109.46 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 49.1 t0 -83.29 83.06 8.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.766 -1.209 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -63.92 -26.81 68.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.271 -0.893 . . . . 0.0 109.783 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.48 -25.26 68.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.0 109.823 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 13.48 78.51 Favored Glycine 0 N--CA 1.497 2.758 0 O-C-N 120.649 -1.282 . . . . 0.0 110.472 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -91.32 3.16 55.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.192 -1.181 . . . . 0.0 109.931 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.74 88.26 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.209 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.5 p -135.37 150.23 49.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -1.151 . . . . 0.0 109.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.91 130.55 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 p -108.0 157.89 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.339 0.59 . . . . 0.0 109.726 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -54.77 -35.1 63.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.185 -0.947 . . . . 0.0 110.54 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -68.01 -39.4 83.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.048 -1.033 . . . . 0.0 109.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.86 -41.93 91.02 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.159 -0.963 . . . . 0.0 111.216 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD21 ' SD ' ' B' ' 205' ' ' MET . 0.4 OUTLIER -70.84 -56.77 5.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -178.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.91 99.19 Favored Glycine 0 N--CA 1.486 1.98 0 C-N-CA 119.248 -1.453 . . . . 0.0 110.027 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.581 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 90.9 m -59.21 -46.28 88.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.666 -1.491 . . . . 0.0 109.265 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.47 -38.73 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.691 -1.256 . . . . 0.0 109.604 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.95 -37.75 86.82 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.633 -1.292 . . . . 0.0 109.324 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' NH2' ' N ' ' A' ' 34' ' ' THR . 78.1 mtm-85 -58.45 -34.11 70.47 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.597 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.5 m -55.18 -34.02 63.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 108.507 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 23.25 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.597 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.51 51.46 51.94 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -126.6 157.67 38.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.502 -0.999 . . . . 0.0 109.989 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -141.09 75.15 24.24 Favored Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.51 162.63 27.54 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.942 2.428 . . . . 0.0 112.802 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 p -105.24 162.13 13.68 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.855 0.836 . . . . 0.0 109.732 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.16 94.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.685 -0.635 . . . . 0.0 110.349 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.54 94.95 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 110.116 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.68 -46.45 85.51 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 110.127 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.34 -37.55 83.44 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.286 -0.884 . . . . 0.0 110.297 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -59.77 -45.4 92.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.937 -1.102 . . . . 0.0 109.298 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.85 -44.21 94.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 110.236 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.34 -58.59 7.96 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.942 -1.099 . . . . 0.0 110.717 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -37.31 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.22 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.9 -37.64 74.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.334 -0.854 . . . . 0.0 110.728 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.89 -20.51 63.82 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 111.708 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -128.01 24.43 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.038 -1.039 . . . . 0.0 111.23 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.6 t0 -90.07 99.85 12.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.767 -1.208 . . . . 0.0 108.916 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.89 17.71 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.26 -0.9 . . . . 0.0 110.509 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 32.0 p30 -92.93 -7.54 45.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.04 -1.038 . . . . 0.0 109.186 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.7 26.0 68.05 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.9 0.38 54.71 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.342 -1.093 . . . . 0.0 109.781 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.84 20.91 74.81 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.466 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 69.6 p -141.78 160.97 39.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.218 -1.166 . . . . 0.0 108.021 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.9 mt -100.33 122.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.296 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 67.5 m-20 -94.16 159.29 15.21 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -49.65 -45.34 78.78 Favored Pre-proline 0 C--N 1.304 -1.397 0 O-C-N 121.141 -0.975 . . . . 0.0 111.496 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.58 -38.91 47.9 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 CA-C-N 120.894 1.355 . . . . 0.0 110.976 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -44.74 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.06 -45.68 92.44 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.627 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.65 -39.61 84.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.093 0.949 . . . . 0.0 109.366 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -63.85 -42.69 97.51 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.407 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.533 ' SD ' ' NZ ' ' B' ' 206' ' ' LYS . 21.7 ttp -61.83 -41.36 97.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -60.9 -41.05 95.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.411 -0.806 . . . . 0.0 110.809 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.75 -23.89 59.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.834 -1.166 . . . . 0.0 108.391 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -51.67 -18.61 1.24 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.478 -0.764 . . . . 0.0 109.343 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.4 -45.31 88.6 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.9 mpt? -62.4 -42.14 99.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.82 . . . . 0.0 109.619 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.58 -40.82 97.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.923 -1.111 . . . . 0.0 109.824 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.6 t0 60.21 56.18 3.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.656 -0.653 . . . . 0.0 109.565 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -73.01 0.6 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.218 -0.926 . . . . 0.0 109.652 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -83.11 -15.81 49.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.953 -1.092 . . . . 0.0 108.621 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -49.12 -31.99 9.12 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.49 -43.73 98.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.998 -1.064 . . . . 0.0 109.049 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -66.21 -41.4 90.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.502 -0.749 . . . . 0.0 109.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.653 ' OE1' HG23 ' B' ' 203' ' ' VAL . 77.5 mm-40 -70.16 -36.14 74.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.259 -0.901 . . . . 0.0 110.052 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 mt -61.27 -40.5 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.0 109.313 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.07 -37.78 86.65 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.809 -1.182 . . . . 0.0 109.817 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.96 -39.39 94.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.769 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.49 41.16 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.142 -0.973 . . . . 0.0 108.993 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -55.3 -40.3 70.92 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.97 -39.24 93.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.88 -40.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.162 -0.961 . . . . 0.0 110.044 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -71.21 -42.1 69.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.185 -0.947 . . . . 0.0 110.549 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -89.14 85.89 6.76 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.82 -1.175 . . . . 0.0 109.85 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -73.53 -22.4 60.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 110.388 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.4 -29.08 67.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.19 -0.944 . . . . 0.0 110.532 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.58 5.0 88.06 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.1 p-10 -69.62 -9.75 55.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.274 . . . . 0.0 109.316 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 4.43 79.73 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.3 m-85 -138.5 144.74 40.13 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.03 123.77 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 120.794 -1.191 . . . . 0.0 108.827 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.9 p -97.39 167.01 11.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.88 95.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.612 -0.68 . . . . 0.0 111.642 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.56 84.79 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.396 -1.44 . . . . 0.0 109.629 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.42 -42.27 98.48 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.153 -0.967 . . . . 0.0 111.948 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.31 -34.31 77.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.882 -1.136 . . . . 0.0 110.782 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -66.81 -34.27 77.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.032 -1.043 . . . . 0.0 110.676 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -65.8 -58.54 5.4 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.41 -44.57 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.231 -0.918 . . . . 0.0 110.234 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 109' ' ' MET . 4.5 ppp? -65.23 -23.83 67.17 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.55 -1.343 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.565 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 94.2 m -70.56 -40.65 73.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.658 -1.276 . . . . 0.0 110.084 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -66.9 -20.5 65.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.374 -0.829 . . . . 0.0 110.443 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.29 7.85 38.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.987 -1.071 . . . . 0.0 109.887 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.39 79.35 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.185 -1.007 . . . . 0.0 110.778 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.4 135.43 37.04 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.114 -1.227 . . . . 0.0 109.343 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.565 ' NZ ' HG23 ' A' ' 110' ' ' THR . 22.3 mmtm -132.21 101.33 5.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.607 -0.683 . . . . 0.0 110.233 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' B' ' 218' ' ' ALA . 3.1 mp -107.05 173.59 6.26 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.9 p -101.02 163.97 12.03 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.3 -0.875 . . . . 0.0 108.77 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.61 -38.67 81.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.088 -1.008 . . . . 0.0 109.649 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.03 -41.12 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.122 -0.986 . . . . 0.0 109.175 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.5 -43.12 99.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.249 -0.907 . . . . 0.0 109.419 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.63 -36.12 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.27 -45.35 94.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.091 -1.006 . . . . 0.0 110.177 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.46 -38.59 91.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.041 -1.037 . . . . 0.0 110.342 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.4 mtt -61.07 -39.56 90.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.205 -0.934 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.89 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 108.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.56 -45.22 94.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.932 -1.105 . . . . 0.0 110.625 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.29 -39.3 92.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.154 -0.966 . . . . 0.0 111.589 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -85.95 -5.96 59.14 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.787 -1.196 . . . . 0.0 110.82 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -81.63 88.97 6.2 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.847 -1.158 . . . . 0.0 110.136 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.93 -44.69 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.342 -0.849 . . . . 0.0 111.44 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.3 p-10 -77.79 -24.28 48.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.107 . . . . 0.0 109.015 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.552 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.28 22.9 58.08 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -77.43 -10.54 59.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.362 -1.081 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.81 -11.2 69.6 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.8 mp0 -130.91 166.22 21.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.309 -1.112 . . . . 0.0 108.47 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.82 124.48 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.601 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.54 -179.29 3.83 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.964 0.887 . . . . 0.0 110.436 -178.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.6 m-85 -59.08 -39.3 81.7 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.49 -50.45 73.52 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.394 -0.816 . . . . 0.0 109.63 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -68.56 -40.64 80.52 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.969 -1.082 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.89 -46.93 85.55 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.772 -0.58 . . . . 0.0 110.899 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.97 -42.27 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 119.942 -1.724 . . . . 0.0 107.674 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -62.19 -39.8 93.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 110.77 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 26.6 ttp -63.1 -37.6 87.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.832 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.3 mmm -84.19 -12.5 54.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.203 -0.935 . . . . 0.0 111.839 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.27 56.39 1.35 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.94 -1.1 . . . . 0.0 108.901 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.8 141.54 37.88 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.376 -0.828 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.308 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.743 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 16.4 mmt -99.76 16.21 24.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.541 -0.724 . . . . 0.0 109.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 42.8 p-10 -56.33 -34.17 66.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.969 -1.082 . . . . 0.0 109.067 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.653 HG23 ' OE1' ' A' ' 84' ' ' GLU . 4.2 p -72.8 -6.43 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.461 -0.775 . . . . 0.0 110.453 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.5 -48.32 72.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.321 -1.487 . . . . 0.0 110.644 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.468 ' SD ' HD21 ' A' ' 32' ' ' LEU . 99.0 mtp -62.03 -46.07 90.79 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 120.612 -1.305 . . . . 0.0 109.747 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.533 ' NZ ' ' SD ' ' A' ' 71' ' ' MET . 37.6 mmtm -67.4 -39.81 85.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -62.37 -39.56 97.92 Favored Glycine 0 N--CA 1.485 1.961 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.725 ' C ' HD12 ' B' ' 208' ' ' LEU . 0.3 OUTLIER -42.9 -35.95 1.36 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.425 -1.044 . . . . 0.0 108.716 -179.295 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 94.9 p -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.29 -0.881 . . . . 0.0 109.86 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' B' ' 207' ' ' GLY . 73.9 mmtt -101.57 -3.36 28.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.822 . . . . 0.0 110.211 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -89.63 -10.52 45.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.976 -1.078 . . . . 0.0 109.942 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.46 118.81 16.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.393 -0.817 . . . . 0.0 109.966 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.513 ' O ' HG23 ' B' ' 216' ' ' VAL . 46.3 tp10 -173.16 -93.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -61.15 -39.87 97.75 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -5.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.903 -1.351 . . . . 0.0 109.689 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 213' ' ' GLU . 46.6 t -61.17 -38.26 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.306 -0.871 . . . . 0.0 110.682 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.922 -1.111 . . . . 0.0 111.236 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 116' ' ' LEU . . . -61.09 -40.16 92.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.479 -1.388 . . . . 0.0 109.382 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -143.2 124.97 15.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.385 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -85.3 0.01 53.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -62.85 -42.11 99.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 0.0 109.324 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 4' ' ' LEU . 9.3 tp -73.79 144.33 45.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.202 -0.936 . . . . 0.0 108.873 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -109.22 157.13 19.1 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.595 0.712 . . . . 0.0 110.497 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 3.7 pm0 -65.38 -29.45 70.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.53 -0.731 . . . . 0.0 110.415 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.66 -37.75 76.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.124 -0.985 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.68 -40.3 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.14 -0.975 . . . . 0.0 110.105 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.03 -40.06 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.818 -1.176 . . . . 0.0 109.49 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.74 79.1 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.94 -1.1 . . . . 0.0 109.593 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.96 -44.11 97.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.979 -1.076 . . . . 0.0 110.705 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.3 -21.08 25.96 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.845 -1.16 . . . . 0.0 109.857 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.47 -43.47 97.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.797 -1.19 . . . . 0.0 109.047 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.52 -45.8 92.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 0.0 108.879 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.49 84.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.138 -0.976 . . . . 0.0 109.27 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.32 -45.22 84.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.251 -0.906 . . . . 0.0 110.869 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.88 -22.73 66.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.975 -1.078 . . . . 0.0 111.705 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -43.02 83.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.361 -1.462 . . . . 0.0 110.056 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.64 -38.07 77.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.003 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 52.3 t0 -83.83 81.04 8.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.823 -1.173 . . . . 0.0 109.718 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.03 -22.12 66.42 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.209 -0.932 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.12 -30.69 71.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.398 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.2 4.26 88.82 Favored Glycine 0 N--CA 1.496 2.664 0 O-C-N 120.362 -1.462 . . . . 0.0 110.096 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -87.86 3.07 49.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -1.125 . . . . 0.0 109.852 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 11.57 85.08 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.478 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 64.9 p -137.36 149.84 47.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -1.16 . . . . 0.0 108.914 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 130.48 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 121.789 0.804 . . . . 0.0 108.926 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.4 p -109.31 159.08 17.26 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -56.82 -35.03 68.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.24 -0.913 . . . . 0.0 110.145 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.81 -42.22 95.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.92 . . . . 0.0 109.846 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 42.4 mt-10 -64.98 -43.81 91.41 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.404 -0.81 . . . . 0.0 111.159 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -50.91 27.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.142 -0.974 . . . . 0.0 109.549 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.24 97.27 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.234 -1.46 . . . . 0.0 110.126 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.1 m -59.8 -46.63 88.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.835 -1.391 . . . . 0.0 109.713 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.89 -32.33 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.848 -1.158 . . . . 0.0 108.653 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 ttt -60.75 -33.54 73.08 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.935 -1.103 . . . . 0.0 109.453 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -59.71 -30.23 68.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -58.34 -37.41 75.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.92 13.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 0.0 108.903 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 62.74 41.57 99.82 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.222 -0.99 . . . . 0.0 110.862 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -114.99 160.8 19.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.472 -1.017 . . . . 0.0 109.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -141.5 68.64 25.8 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.706 -0.621 . . . . 0.0 109.477 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -77.28 166.09 26.77 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 123.099 2.533 . . . . 0.0 112.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -102.78 160.83 14.24 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.772 0.796 . . . . 0.0 109.797 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.79 -42.83 98.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.76 -0.588 . . . . 0.0 110.7 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.835 -1.166 . . . . 0.0 110.127 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.78 -44.23 94.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.83 -1.169 . . . . 0.0 110.256 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.17 -37.66 84.1 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.317 -0.865 . . . . 0.0 109.487 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.518 ' OE1' ' ND2' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -60.6 -40.25 91.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 108.511 -179.283 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -62.17 -43.55 98.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.84 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 14.1 mtt -60.1 -51.08 71.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.895 -1.128 . . . . 0.0 110.319 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' CG1' ' H1 ' ' B' ' 200' ' ' ACE . 1.2 mt -64.24 -34.67 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.985 -1.072 . . . . 0.0 109.625 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 49' ' ' GLN . 1.4 m120 -55.87 -26.08 45.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.937 -1.102 . . . . 0.0 110.214 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.93 -26.52 68.24 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.959 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 55' ' ' VAL . 12.9 p -135.66 37.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.002 -1.061 . . . . 0.0 111.547 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -94.8 104.22 16.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.71 -1.244 . . . . 0.0 109.196 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.87 -24.44 17.73 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.048 -1.032 . . . . 0.0 110.525 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.0 p30 -92.43 -10.01 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.214 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.77 25.66 69.28 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -96.5 2.83 52.84 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.379 -1.071 . . . . 0.0 110.598 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.63 21.34 74.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.486 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.3 p -141.01 161.48 37.75 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.81 122.66 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -89.2 153.15 21.16 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.879 -1.129 . . . . 0.0 108.021 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -47.09 -46.53 54.92 Favored Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 111.597 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.2 -36.99 77.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 CA-C-N 121.151 1.447 . . . . 0.0 111.045 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.18 -43.37 98.98 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 32.4 t80 -60.98 -44.73 96.94 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.662 0.744 . . . . 0.0 110.379 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.23 -41.68 93.63 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.779 0.799 . . . . 0.0 110.037 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.3 m -61.07 -42.59 98.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.3 ttp -63.67 -37.12 86.15 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.831 -0.747 . . . . 0.0 109.23 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 68' ' ' PHE . 2.4 mtp -59.97 -43.48 95.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.038 -1.038 . . . . 0.0 109.855 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.23 -22.74 47.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.777 -1.202 . . . . 0.0 108.837 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 63.5 ttm-85 -59.67 -21.84 61.11 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.599 -0.688 . . . . 0.0 110.463 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HG3' ' HZ3' ' B' ' 206' ' ' LYS . 87.6 tttt -55.6 -42.86 75.44 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.092 -1.005 . . . . 0.0 108.362 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 2.0 mpt? -60.77 -38.51 85.5 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.82 -22.43 62.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.149 -0.97 . . . . 0.0 109.392 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 82' ' ' GLU . 13.4 t70 58.35 55.13 5.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 109.889 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.431 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -91.97 -65.1 1.03 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.0 -1.063 . . . . 0.0 109.768 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -83.04 -12.24 57.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.976 -1.077 . . . . 0.0 108.162 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -48.8 -37.58 19.59 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 78' ' ' ASP . 58.3 mp0 -61.28 -41.47 97.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 109.214 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.19 -45.71 87.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.127 -0.983 . . . . 0.0 109.784 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' B' ' 207' ' ' GLY . 40.7 tt0 -67.56 -39.83 84.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -0.943 . . . . 0.0 110.556 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.2 -46.18 97.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.6 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -67.71 -39.0 84.39 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.581 -1.325 . . . . 0.0 110.018 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -68.03 -38.99 83.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.949 -1.095 . . . . 0.0 110.115 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.16 62.39 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.237 -0.914 . . . . 0.0 110.079 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.1 t80 -57.36 -40.59 78.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 108.913 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.88 -39.48 94.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.555 -0.715 . . . . 0.0 110.179 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.36 -40.0 63.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.305 -0.872 . . . . 0.0 109.681 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.2 -42.76 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.141 -0.974 . . . . 0.0 110.43 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -88.61 86.09 6.94 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.861 -1.149 . . . . 0.0 110.328 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -76.82 -23.09 52.79 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.058 -1.026 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 96.4 m-20 -68.54 -29.67 68.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.952 -1.093 . . . . 0.0 110.536 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.41 5.6 87.78 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.1 p-10 -69.55 -8.24 45.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.786 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.59 -2.18 86.04 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.8 m-85 -132.86 140.84 48.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -94.14 130.91 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.961 -1.087 . . . . 0.0 109.924 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 p -107.3 165.97 10.99 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.982 0.896 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.0 90.49 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.876 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.09 84.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.309 -1.494 . . . . 0.0 108.539 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.4 mt-10 -61.69 -40.04 93.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.269 -0.895 . . . . 0.0 109.717 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -67.18 -41.02 86.62 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 111.704 -178.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -63.02 -37.03 85.58 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 120.314 -1.491 . . . . 0.0 110.171 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.3 -61.92 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.227 -0.921 . . . . 0.0 112.351 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.68 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.327 -0.858 . . . . 0.0 110.071 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.7 mtp -63.54 -39.43 94.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.848 -1.157 . . . . 0.0 110.405 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.3 m -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.214 -0.928 . . . . 0.0 110.253 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -36.49 84.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 111.613 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.19 -3.97 25.04 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.208 -0.932 . . . . 0.0 111.029 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.01 -94.74 0.18 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -174.03 160.55 3.5 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.465 -1.609 . . . . 0.0 108.432 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.15 133.76 51.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -109.97 -172.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.9 p -101.92 159.52 15.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.967 -1.083 . . . . 0.0 109.137 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -57.58 -40.3 78.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 109.909 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.99 -42.45 94.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.041 -1.037 . . . . 0.0 109.663 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -61.43 -45.23 95.19 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.201 -0.937 . . . . 0.0 110.101 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.75 -32.83 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.543 -0.723 . . . . 0.0 109.136 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.58 -43.0 97.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.067 -1.021 . . . . 0.0 109.491 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -39.0 92.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.853 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.3 ttt -58.79 -40.11 83.08 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.027 -1.046 . . . . 0.0 109.239 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.81 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.382 -0.823 . . . . 0.0 109.7 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.5 -45.81 90.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.917 -1.114 . . . . 0.0 111.283 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.16 -38.99 93.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.99 -1.069 . . . . 0.0 111.316 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 0.21 57.37 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.889 -1.132 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -81.3 83.57 6.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.217 . . . . 0.0 110.534 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.07 -43.96 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.131 -0.981 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.8 p30 -76.2 -25.43 55.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.77 20.46 63.54 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 48.9 p-10 -81.11 -4.21 54.55 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.361 -1.082 . . . . 0.0 110.103 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.78 -0.14 83.06 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -138.15 159.14 42.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.189 -1.183 . . . . 0.0 108.5 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.8 t -98.54 121.92 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.599 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.57 -178.62 3.7 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.716 0.769 . . . . 0.0 109.922 -178.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 9.1 m-85 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -60.64 -50.79 72.09 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.442 -0.787 . . . . 0.0 109.852 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.031 -1.043 . . . . 0.0 109.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.61 -47.43 81.42 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.689 -0.632 . . . . 0.0 110.792 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.418 ' O ' ' OG1' ' A' ' 146' ' ' THR . 94.1 t -71.01 -43.43 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 119.992 -1.692 . . . . 0.0 108.052 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.88 -40.17 96.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.374 -0.828 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.12 -48.17 82.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 109.962 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.2 mtp -73.25 -39.1 65.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.338 -0.851 . . . . 0.0 112.198 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -72.24 55.56 0.32 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.568 -1.333 . . . . 0.0 109.945 -178.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.62 138.58 42.54 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.047 -179.767 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.505 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.213 -0.824 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.25 39.72 0.84 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 51.3 p-10 -64.06 -32.79 74.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.633 -1.292 . . . . 0.0 109.723 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.541 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.1 p -70.97 -32.43 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.816 -1.178 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.465 ' CD2' ' N ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -55.5 -48.8 74.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.545 -1.347 . . . . 0.0 111.051 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.465 ' N ' ' CD2' ' B' ' 204' ' ' PHE . 23.5 ptp -65.17 -20.09 66.28 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.544 -1.348 . . . . 0.0 110.061 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.514 ' HZ3' ' HG3' ' A' ' 75' ' ' LYS . 65.5 tttm -62.07 -43.33 99.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.006 -1.058 . . . . 0.0 110.173 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.544 ' N ' ' OE2' ' A' ' 84' ' ' GLU . . . -60.38 -40.09 97.09 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.69 ' C ' HD12 ' B' ' 208' ' ' LEU . 0.3 OUTLIER -45.61 -34.32 3.34 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.301 -1.117 . . . . 0.0 108.828 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.1 m -63.15 -42.72 99.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.067 -1.02 . . . . 0.0 109.265 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.58 -40.45 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.552 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -77.31 -17.51 58.26 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.301 -0.875 . . . . 0.0 109.675 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' B' ' 213' ' ' GLU . 88.0 tttt -104.23 124.54 49.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.482 -0.761 . . . . 0.0 109.359 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' B' ' 212' ' ' LYS . 4.3 tm-20 71.7 -52.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.441 -0.787 . . . . 0.0 109.398 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.99 -39.63 97.32 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.96 -13.32 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 120.819 -1.401 . . . . 0.0 109.786 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.97 -38.81 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.185 -0.947 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -51.52 -17.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.932 . . . . 0.0 109.999 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.05 88.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 109.328 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -175.68 109.09 0.1 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 109.448 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -85.54 75.04 10.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.96 . . . . 0.0 109.419 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -96.18 -1.03 49.19 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.483 -0.761 . . . . 0.0 109.435 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.2 tp -136.81 150.13 48.15 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -108.12 156.75 18.95 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.615 0.722 . . . . 0.0 110.852 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -63.66 -20.12 65.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.662 -0.649 . . . . 0.0 110.249 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.02 -39.42 83.14 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.809 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -66.21 -39.62 89.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 110.514 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.519 -1.363 . . . . 0.0 108.802 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.0 89.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.105 -0.997 . . . . 0.0 109.983 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.05 -43.44 98.82 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.836 -1.165 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.5 -28.12 22.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.869 -1.144 . . . . 0.0 110.857 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.76 -44.26 96.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.986 -1.071 . . . . 0.0 109.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.83 -46.95 87.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 108.855 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.13 73.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 0.0 110.032 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 82.1 t80 -59.09 -47.63 84.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.066 -1.021 . . . . 0.0 111.792 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.05 -22.37 65.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.835 -1.166 . . . . 0.0 111.089 -177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -39.55 90.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.794 -1.191 . . . . 0.0 109.756 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.35 -38.76 78.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.99 -1.069 . . . . 0.0 109.963 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -82.69 83.49 7.64 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.672 -1.267 . . . . 0.0 109.83 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -62.59 -29.35 70.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.28 -0.887 . . . . 0.0 109.881 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.41 -26.77 68.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 0.0 110.031 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.65 78.71 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 120.507 -1.371 . . . . 0.0 110.532 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -92.32 5.1 51.84 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.121 -1.223 . . . . 0.0 109.963 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.78 7.98 88.06 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.384 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.3 p -135.87 151.36 49.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.26 -1.141 . . . . 0.0 109.16 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.2 mt -105.49 130.53 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -107.71 158.5 17.22 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.373 0.606 . . . . 0.0 109.913 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 p -55.47 -36.47 66.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.225 -0.922 . . . . 0.0 110.455 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.66 -41.72 92.21 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.128 -0.982 . . . . 0.0 109.939 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.55 -41.85 92.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.293 -0.88 . . . . 0.0 111.474 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -56.44 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.057 -1.027 . . . . 0.0 110.268 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.6 99.15 Favored Glycine 0 N--CA 1.485 1.937 0 C-N-CA 119.444 -1.36 . . . . 0.0 110.174 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.95 -46.89 87.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.017 -1.284 . . . . 0.0 109.464 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.08 -38.88 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.667 -1.271 . . . . 0.0 109.231 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.32 -33.52 75.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.951 -1.093 . . . . 0.0 108.874 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -58.17 -36.36 72.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.36 -0.838 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.6 m -56.07 -34.21 65.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.224 -0.922 . . . . 0.0 108.575 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -69.39 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.62 55.05 22.28 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -126.11 152.51 45.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.446 -1.032 . . . . 0.0 109.749 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -140.61 66.04 27.14 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.45 162.87 30.33 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 123.039 2.492 . . . . 0.0 112.395 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -99.72 160.8 14.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.399 -0.813 . . . . 0.0 109.773 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 50.0 mp0 -60.74 -43.25 98.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.672 -0.642 . . . . 0.0 110.373 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.15 93.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.104 -0.997 . . . . 0.0 110.033 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.34 -45.29 91.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.39 -38.16 86.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.249 -0.907 . . . . 0.0 110.38 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' NE2' ' OD1' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -60.24 -40.36 89.99 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 108.461 -179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.96 -47.24 85.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.476 -0.765 . . . . 0.0 110.311 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.11 -56.83 15.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.079 . . . . 0.0 110.434 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -35.79 69.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.568 -0.708 . . . . 0.0 110.044 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.466 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -59.11 -26.13 64.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.301 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.76 -24.88 67.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.135 -0.978 . . . . 0.0 111.26 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' VAL . 14.4 p -135.52 32.74 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 120.959 -1.088 . . . . 0.0 111.565 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.0 t0 -91.13 102.4 15.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.611 -1.305 . . . . 0.0 108.968 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.71 -23.8 18.09 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.08 -1.012 . . . . 0.0 110.316 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.536 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 29.8 p30 -92.61 -6.84 48.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.96 -1.088 . . . . 0.0 109.054 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.4 26.61 64.45 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.536 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.8 p-10 -96.09 2.51 53.3 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.317 -1.108 . . . . 0.0 110.449 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.41 19.86 74.81 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.489 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 70.5 p -140.45 160.9 38.98 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.176 -1.19 . . . . 0.0 107.81 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.89 122.24 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.46 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -91.21 155.67 18.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.084 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 27.4 t80 -46.83 -52.9 29.47 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.289 -0.882 . . . . 0.0 111.707 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 16.8 Cg_endo -57.39 -35.95 98.85 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 CA-C-N 120.696 1.284 . . . . 0.0 111.382 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.15 -44.55 91.79 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 51.6 t80 -62.1 -46.93 86.9 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.074 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.9 tp -59.09 -39.79 83.28 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.942 0.877 . . . . 0.0 109.738 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.2 m -64.39 -43.51 94.23 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.193 0.52 . . . . 0.0 109.801 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ttp -62.4 -42.66 99.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.165 -0.959 . . . . 0.0 109.342 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.88 -41.7 96.48 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.52 -0.738 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -29.16 52.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.764 -1.21 . . . . 0.0 109.153 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' ASP . 41.9 ttm180 -62.87 -43.18 99.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.449 -0.782 . . . . 0.0 110.403 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' NZ ' ' H ' ' B' ' 210' ' ' LYS . 87.8 tttt -59.3 -45.97 89.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 108.903 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmm -64.5 -36.51 84.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.167 -0.958 . . . . 0.0 109.786 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.35 10.42 40.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.783 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 74' ' ' ARG . 22.2 t0 -156.63 179.95 8.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.011 -1.056 . . . . 0.0 109.361 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -141.9 47.2 1.64 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.587 -0.696 . . . . 0.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -69.26 -8.9 50.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.6 p -77.64 3.92 12.67 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.54 -46.58 80.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.467 -0.771 . . . . 0.0 109.514 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.4 -39.65 91.47 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.639 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 55.6 mp0 -70.43 -28.11 64.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.662 -0.649 . . . . 0.0 109.961 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.1 -42.76 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -66.3 -36.7 83.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.773 -1.205 . . . . 0.0 110.008 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.772 ' OE2' ' H1 ' ' B' ' 200' ' ' ACE . 88.1 tt0 -62.53 -39.69 94.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.44 -27.95 40.77 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 30.8 t80 -56.77 -39.86 74.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.382 -0.824 . . . . 0.0 109.225 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -65.48 -37.91 88.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.075 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.82 -41.37 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 0.0 109.758 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.99 -39.57 69.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 110.017 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -82.5 81.43 8.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.986 -1.071 . . . . 0.0 110.666 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -63.69 -43.24 97.24 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.313 -0.867 . . . . 0.0 111.531 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 56.5 p30 -68.68 -26.31 65.23 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.793 -1.192 . . . . 0.0 111.056 -177.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.34 15.21 81.64 Favored Glycine 0 N--CA 1.487 2.059 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.978 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.1 p-10 -69.15 -5.75 24.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.854 -1.38 . . . . 0.0 108.47 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.65 3.58 80.66 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.479 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 45.3 m-85 -138.78 143.89 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -95.54 128.79 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.745 -1.222 . . . . 0.0 109.577 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -106.06 165.64 11.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.988 0.899 . . . . 0.0 110.746 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.55 92.17 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.838 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.2 86.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.378 -1.451 . . . . 0.0 108.497 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.58 -41.05 96.85 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.107 -0.996 . . . . 0.0 109.88 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.16 -40.3 90.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.268 -0.895 . . . . 0.0 110.263 -179.432 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.09 -39.5 92.66 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.618 -1.301 . . . . 0.0 110.102 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.26 -60.76 2.81 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.297 -0.877 . . . . 0.0 112.535 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.34 -40.99 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.173 -0.954 . . . . 0.0 109.623 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.3 mtp -63.32 -38.29 90.59 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 110.17 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.8 m -66.09 -40.73 91.02 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.209 -0.932 . . . . 0.0 111.338 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.45 -22.27 66.91 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.106 -0.996 . . . . 0.0 111.553 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.5 mt -89.11 9.4 25.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.797 -1.19 . . . . 0.0 110.18 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.31 11.08 83.84 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -106.79 137.38 44.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.614 -0.933 . . . . 0.0 109.035 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -143.63 122.13 12.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.422 -0.799 . . . . 0.0 109.477 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' B' ' 218' ' ' ALA . 4.7 mp -115.26 -179.27 3.59 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.2 p -101.16 164.3 11.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 108.939 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -59.39 -39.23 82.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.255 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -62.08 -40.08 94.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.03 -1.044 . . . . 0.0 109.344 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.93 -43.16 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.615 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -72.42 -35.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.36 -41.52 89.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.087 -1.008 . . . . 0.0 109.251 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.34 -39.04 91.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.977 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.005 -1.059 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.47 -44.56 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.721 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -60.74 -45.42 94.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.985 . . . . 0.0 110.903 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.53 -38.6 87.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.963 -1.086 . . . . 0.0 111.391 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.73 0.88 56.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.804 -1.185 . . . . 0.0 110.853 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.27 83.89 7.28 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.655 -1.278 . . . . 0.0 111.108 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.13 -44.07 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.19 -0.943 . . . . 0.0 110.848 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.6 p-10 -76.45 -25.75 54.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 109.085 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.51 20.71 63.55 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.451 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.1 p-10 -79.98 -7.6 58.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.333 -1.098 . . . . 0.0 110.285 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 86.42 -7.04 80.57 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.848 -1.168 . . . . 0.0 110.21 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.5 mp0 -131.4 170.4 14.72 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.269 -1.136 . . . . 0.0 108.591 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.92 125.07 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.595 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 -179.06 3.77 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.912 0.863 . . . . 0.0 110.464 -178.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.4 m-85 -59.45 -40.02 85.46 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -60.62 -50.37 73.77 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.381 -0.825 . . . . 0.0 109.653 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.71 -40.71 84.26 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.237 -0.915 . . . . 0.0 109.359 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.54 -48.2 80.54 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.868 -0.52 . . . . 0.0 110.673 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.1 t -71.51 -44.24 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.593 0 O-C-N 119.925 -1.735 . . . . 0.0 108.435 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -61.68 -41.46 97.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.329 -0.857 . . . . 0.0 110.053 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.93 -42.92 99.65 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.457 ' SD ' ' NZ ' ' B' ' 210' ' ' LYS . 5.1 mmt -69.18 -39.22 78.83 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.206 -0.934 . . . . 0.0 112.178 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.64 56.83 0.28 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.602 -1.311 . . . . 0.0 109.382 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -106.55 141.56 37.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 109.311 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.023 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.772 ' H1 ' ' OE2' ' A' ' 87' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 0.8 OUTLIER -114.08 -7.58 13.06 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.759 -0.588 . . . . 0.0 110.077 . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.545 ' N ' ' SD ' ' B' ' 201' ' ' MET . 37.0 p-10 -57.94 -34.38 69.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.868 -1.145 . . . . 0.0 108.918 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.531 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.5 p -62.93 -8.14 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.598 -0.689 . . . . 0.0 110.507 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.69 -48.58 74.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.082 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.5 mtp -65.72 -43.32 89.42 Favored 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.518 -1.364 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.51 -38.87 77.76 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.106 -0.996 . . . . 0.0 111.05 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' B' ' 208' ' ' LEU . . . -75.26 0.14 60.23 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.8 OUTLIER -36.38 -58.13 0.71 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.574 -0.957 . . . . 0.0 111.143 -178.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.438 ' HB2' ' HZ3' ' A' ' 75' ' ' LYS . 75.2 m -66.27 -40.11 89.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.674 -1.266 . . . . 0.0 110.181 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.556 ' H ' ' NZ ' ' A' ' 75' ' ' LYS . 66.3 mmtt -63.22 -37.01 85.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.376 -0.827 . . . . 0.0 110.565 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.01 64.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.901 -1.124 . . . . 0.0 109.932 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -142.08 128.89 20.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.81 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -177.85 -104.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.37 -39.42 97.23 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 1.4 p -52.14 -16.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.0 -1.294 . . . . 0.0 110.011 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.27 -42.17 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.246 -0.909 . . . . 0.0 111.451 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.11 75.09 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 111.634 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.44 ' CB ' HD21 ' A' ' 116' ' ' LEU . . . -67.89 -40.14 83.55 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.508 -1.37 . . . . 0.0 109.814 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -125.2 -95.83 0.45 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.701 -0.624 . . . . 0.0 109.389 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.315 0.579 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.67 -7.23 59.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 4' ' ' LEU . 24.9 tm0? -89.32 122.24 32.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.0 109.29 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 9.1 tp -96.72 142.16 29.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.458 -0.776 . . . . 0.0 109.331 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 p -109.73 157.52 19.04 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-O 121.688 0.756 . . . . 0.0 110.682 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.38 -39.91 94.78 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.706 -0.621 . . . . 0.0 110.053 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.84 -41.09 97.39 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.071 -1.018 . . . . 0.0 110.303 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.42 -40.09 93.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.102 -0.999 . . . . 0.0 110.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.15 -40.01 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.594 -1.316 . . . . 0.0 109.64 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.97 76.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.924 -1.11 . . . . 0.0 109.837 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.79 -42.51 97.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.812 -1.18 . . . . 0.0 110.331 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.96 -19.26 29.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.911 -1.118 . . . . 0.0 109.752 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.32 -43.21 98.44 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.798 -1.189 . . . . 0.0 109.206 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.83 -43.48 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.078 -1.014 . . . . 0.0 109.255 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.55 84.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.935 . . . . 0.0 109.188 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 -45.28 86.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 0.0 111.34 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.32 -39.3 82.63 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.059 -1.026 . . . . 0.0 111.503 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -42.07 63.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.72 -1.237 . . . . 0.0 110.502 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -67.66 -38.69 84.15 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.796 -1.19 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 52.2 t0 -84.05 82.98 8.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.676 -1.265 . . . . 0.0 109.711 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -63.34 -25.38 68.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.251 -0.906 . . . . 0.0 110.083 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.36 -28.8 70.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.987 -1.071 . . . . 0.0 110.131 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.83 85.12 Favored Glycine 0 N--CA 1.498 2.795 0 O-C-N 120.532 -1.355 . . . . 0.0 110.129 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -91.59 5.15 50.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.453 -1.028 . . . . 0.0 109.793 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 12.52 84.52 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 72.9 p -137.68 149.82 46.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.183 -1.187 . . . . 0.0 109.205 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -105.67 130.56 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 CA-C-O 121.715 0.769 . . . . 0.0 109.087 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.6 p -107.43 158.28 17.31 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.9 p -55.65 -35.72 66.25 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.15 -0.969 . . . . 0.0 110.121 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -64.73 -42.35 95.28 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.0 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.98 -42.07 90.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.853 . . . . 0.0 111.384 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD22 ' SD ' ' B' ' 201' ' ' MET . 0.5 OUTLIER -71.29 -56.04 6.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.037 . . . . 0.0 110.223 -178.653 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.07 96.44 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.056 -1.545 . . . . 0.0 109.88 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.0 m -59.88 -46.17 90.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.985 -1.303 . . . . 0.0 109.098 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.14 -38.41 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.68 -1.262 . . . . 0.0 108.978 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.569 ' SD ' ' SD ' ' B' ' 201' ' ' MET . 10.5 ttp -65.1 -27.6 68.86 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 108.815 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -60.94 -37.74 83.41 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.329 -0.857 . . . . 0.0 109.686 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 40' ' ' GLY . 46.2 t -57.8 -35.25 70.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 108.766 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -65.33 16.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.85 36.37 92.07 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.063 -1.023 . . . . 0.0 110.582 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -110.75 154.69 23.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.521 -0.988 . . . . 0.0 109.803 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -138.59 68.71 45.3 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.69 163.74 28.8 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 123.049 2.499 . . . . 0.0 112.825 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 p -105.69 165.25 11.3 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.735 0.779 . . . . 0.0 109.574 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.07 -42.02 93.66 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.643 -0.661 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.91 95.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.32 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.34 -45.22 88.8 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.952 -1.092 . . . . 0.0 110.221 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.08 -35.52 80.0 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.368 -0.833 . . . . 0.0 109.558 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -58.72 -48.43 81.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 0.0 109.806 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.05 -1.031 . . . . 0.0 109.73 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.3 mtt -60.98 -51.63 68.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.112 -0.993 . . . . 0.0 110.674 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -40.06 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.978 -1.076 . . . . 0.0 110.495 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.29 -36.25 75.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.534 -0.729 . . . . 0.0 110.236 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.88 -24.08 61.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.187 -0.946 . . . . 0.0 111.71 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -122.75 16.31 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 O-C-N 121.249 -0.907 . . . . 0.0 111.296 -179.269 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 64.4 t0 -85.69 105.92 16.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.692 -1.255 . . . . 0.0 109.146 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.45 -24.16 17.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.22 -0.925 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 37.0 p30 -90.81 -6.63 54.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.887 -1.133 . . . . 0.0 109.439 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.26 24.95 66.02 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.5 p-10 -92.88 0.1 57.34 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -1.148 . . . . 0.0 109.62 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.45 17.37 77.72 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.07 161.54 37.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.164 -1.198 . . . . 0.0 107.951 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.52 122.19 53.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -92.21 153.28 19.39 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.002 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 10.4 t80 -43.54 -52.2 14.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 O-C-N 121.327 -0.858 . . . . 0.0 112.095 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -59.67 -32.8 96.41 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 CA-C-N 120.921 1.365 . . . . 0.0 111.469 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.97 -43.76 91.58 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -60.94 -44.43 97.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.423 0.63 . . . . 0.0 110.013 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.6 -39.22 79.8 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.32 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -62.04 -44.05 97.54 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.0 -41.05 97.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.189 -0.944 . . . . 0.0 109.638 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.54 -44.03 93.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.936 . . . . 0.0 110.873 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.54 -23.71 42.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.848 -1.157 . . . . 0.0 108.669 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -58.18 -26.56 62.93 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.692 -0.63 . . . . 0.0 110.147 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 38.7 ttpt -57.1 -44.27 83.05 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 109.07 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtt -61.4 -43.65 98.51 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 108.912 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -70.17 -37.3 75.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 47.6 m-20 60.12 51.81 5.46 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.337 0.589 . . . . 0.0 109.687 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -69.94 0.59 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.336 -0.853 . . . . 0.0 110.077 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 81' ' ' SER . 57.8 p-10 -81.2 -16.37 52.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 90.8 p -55.79 -24.63 36.93 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.183 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.59 -41.99 91.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.77 -39.42 93.58 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.473 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.08 -18.76 61.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mt -61.05 -43.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.908 -1.12 . . . . 0.0 108.657 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -65.41 -39.27 91.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.642 -1.286 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.13 -38.19 87.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.887 -1.133 . . . . 0.0 110.168 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.84 67.99 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 32.0 t80 -56.55 -38.34 71.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.844 -1.16 . . . . 0.0 108.886 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.08 -40.37 97.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 110.794 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -39.88 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.009 . . . . 0.0 109.543 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.16 -41.45 63.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.305 -0.872 . . . . 0.0 109.866 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -81.24 82.66 7.06 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.021 -1.049 . . . . 0.0 109.883 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.41 -44.62 90.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.646 -0.659 . . . . 0.0 111.344 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 52.9 p-10 -68.78 -27.12 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.011 -1.056 . . . . 0.0 110.792 -178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.31 16.48 79.82 Favored Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.578 -1.296 . . . . 0.0 110.072 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.8 p-10 -68.79 -7.26 32.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.351 . . . . 0.0 108.585 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.23 80.07 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.527 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.2 m-85 -134.02 142.3 47.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -96.8 127.87 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.56 -1.338 . . . . 0.0 109.151 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.4 p -105.68 165.21 11.33 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.816 0.817 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.88 86.1 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.868 -0.52 . . . . 0.0 111.379 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.12 83.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.452 -1.405 . . . . 0.0 108.624 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.6 -40.49 94.99 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.238 -0.914 . . . . 0.0 109.961 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.36 -40.68 85.81 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.211 -0.93 . . . . 0.0 111.008 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -63.8 -37.96 89.33 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.394 -1.441 . . . . 0.0 109.983 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.75 -60.05 3.54 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.448 -0.783 . . . . 0.0 112.389 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.74 -40.65 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.079 -1.013 . . . . 0.0 109.769 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.453 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -62.75 -38.01 88.85 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.2 m -64.39 -40.74 96.39 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.224 -0.923 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.14 -23.12 67.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.111 -0.993 . . . . 0.0 111.349 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.04 7.87 38.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.907 -1.121 . . . . 0.0 109.832 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 11.05 83.66 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.55 127.07 47.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.588 -0.948 . . . . 0.0 108.889 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -135.78 116.81 14.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.557 -0.714 . . . . 0.0 109.465 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.623 HD21 ' HB1' ' B' ' 218' ' ' ALA . 4.8 mp -114.56 -177.49 3.14 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -101.35 162.74 12.68 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.29 -0.881 . . . . 0.0 109.08 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.38 -40.68 82.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 110.047 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.51 -41.55 94.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.051 -1.031 . . . . 0.0 109.157 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.12 -43.44 98.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 109.67 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.77 -32.86 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.94 -40.66 85.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 108.851 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.5 -37.84 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.136 -0.978 . . . . 0.0 109.857 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.03 -42.97 91.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.118 -0.989 . . . . 0.0 109.884 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.36 -46.2 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.117 -0.99 . . . . 0.0 110.099 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.91 -41.53 99.47 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.625 -1.297 . . . . 0.0 111.172 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.41 -39.19 85.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.88 -1.137 . . . . 0.0 111.211 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.52 -7.23 55.37 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.918 -1.114 . . . . 0.0 111.427 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.9 90.67 4.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.698 -1.252 . . . . 0.0 109.795 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.26 -44.45 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.548 -0.72 . . . . 0.0 111.312 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.7 p30 -77.32 -24.28 50.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.564 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.62 21.72 57.47 Favored Glycine 0 N--CA 1.482 1.704 0 C-N-CA 119.608 -1.282 . . . . 0.0 109.939 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.8 p30 -77.87 -11.78 59.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.354 -1.086 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.51 -10.52 73.12 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.433 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.4 162.99 28.88 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -1.095 . . . . 0.0 108.529 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.93 123.15 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.24 -174.67 2.58 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.995 0.902 . . . . 0.0 110.619 -177.624 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.8 m-85 -62.06 -40.09 94.61 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.9 -50.84 71.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.378 -0.826 . . . . 0.0 109.805 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.39 -41.62 84.69 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.213 -0.929 . . . . 0.0 109.245 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.95 -47.42 83.26 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.588 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.55 -43.19 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.029 -1.669 . . . . 0.0 108.654 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -64.98 -38.34 90.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.564 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.2 ttt -61.23 -38.75 87.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 85.0 mmm -86.47 -8.88 57.23 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.144 -0.973 . . . . 0.0 112.456 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.36 55.71 1.51 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 120.575 -1.328 . . . . 0.0 109.076 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.86 139.15 41.74 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.405 -0.809 . . . . 0.0 109.466 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.008 -0.996 . . . . 0.0 108.855 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.789 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.619 ' SD ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.19 136.27 57.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.227 -0.921 . . . . 0.0 108.628 . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 25.4 p-10 -42.54 -55.2 3.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.397 -0.815 . . . . 0.0 110.263 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 2.4 p -73.51 -31.42 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.721 -1.237 . . . . 0.0 110.616 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -57.2 -49.83 74.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.721 -1.237 . . . . 0.0 110.2 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 63.9 mtp -71.96 -39.45 69.35 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.532 -1.355 . . . . 0.0 109.472 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -63.32 -42.03 98.96 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.25 -0.906 . . . . 0.0 110.213 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.63 96.73 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.446 ' O ' HD12 ' B' ' 208' ' ' LEU . 0.1 OUTLIER -73.93 -48.63 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.252 . . . . 0.0 109.137 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 90.3 p -62.54 -26.23 68.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.551 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -45.39 94.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -0.909 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -86.72 -13.14 46.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 110.03 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.62 -45.47 93.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.043 -1.035 . . . . 0.0 109.596 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.565 ' O ' HG23 ' B' ' 216' ' ' VAL . 22.1 pt-20 -70.31 -43.64 69.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 109.573 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.15 98.08 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 119.788 -1.196 . . . . 0.0 110.275 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.457 HG13 ' O ' ' B' ' 215' ' ' VAL . 0.4 OUTLIER -72.34 9.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.913 -1.345 . . . . 0.0 110.251 -179.126 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 213' ' ' GLU . 43.9 t -61.75 -38.08 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.209 -0.932 . . . . 0.0 110.319 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.47 80.6 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.998 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.648 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -60.72 -40.38 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.517 -1.365 . . . . 0.0 109.417 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 72.44 16.41 4.96 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.321 -0.862 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -72.83 -12.2 60.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 109.533 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -134.87 146.34 49.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.564 -0.71 . . . . 0.0 109.261 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.89 143.26 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 108.879 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -109.19 156.96 19.25 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.558 0.694 . . . . 0.0 110.565 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -39.76 94.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.557 -0.714 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.979 -1.076 . . . . 0.0 110.375 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -61.39 -40.03 92.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.023 . . . . 0.0 110.173 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.23 -39.63 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.464 -1.398 . . . . 0.0 109.654 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.35 76.37 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.901 -1.125 . . . . 0.0 109.792 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.772 -1.205 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.74 -19.37 29.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.869 -1.145 . . . . 0.0 109.775 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.4 -43.16 98.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 109.072 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.98 -46.28 89.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.194 -0.942 . . . . 0.0 108.985 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.76 81.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.218 -0.926 . . . . 0.0 109.493 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.04 -46.01 82.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.304 -0.872 . . . . 0.0 111.139 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -62.64 -21.99 66.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.871 -1.143 . . . . 0.0 111.779 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.9 88.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.402 -1.436 . . . . 0.0 110.094 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -69.38 -37.86 77.75 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.078 -1.014 . . . . 0.0 109.575 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -83.74 81.37 8.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.63 -1.294 . . . . 0.0 109.783 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.54 -22.56 66.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.17 -0.956 . . . . 0.0 110.007 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.09 -30.22 71.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 3.79 88.51 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.37 -1.457 . . . . 0.0 110.389 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -87.62 2.13 51.76 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.275 -1.132 . . . . 0.0 110.141 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.24 86.8 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.531 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.9 p -136.02 150.14 49.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.251 -1.146 . . . . 0.0 108.87 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.02 131.0 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.742 0.782 . . . . 0.0 108.998 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.6 p -109.01 159.49 16.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -55.98 -35.8 67.15 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.242 -0.911 . . . . 0.0 110.224 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.6 -41.57 96.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.239 -0.913 . . . . 0.0 109.795 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -42.92 88.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.502 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD22 ' H3 ' ' B' ' 200' ' ' ACE . 0.7 OUTLIER -71.04 -52.56 18.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.996 -1.065 . . . . 0.0 110.178 -178.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.34 -39.63 96.4 Favored Glycine 0 N--CA 1.487 2.088 0 C-N-CA 119.539 -1.315 . . . . 0.0 109.864 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.5 m -60.61 -46.24 91.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.933 -1.334 . . . . 0.0 109.551 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.26 -37.67 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 120.753 -1.217 . . . . 0.0 109.154 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' B' ' 200' ' ' ACE . 9.5 ttt -62.32 -35.04 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.762 -1.212 . . . . 0.0 108.87 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -57.1 -34.94 68.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.504 -0.748 . . . . 0.0 109.474 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.592 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -57.76 -36.06 71.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 18.15 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.111 -0.993 . . . . 0.0 109.073 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.13 38.57 96.15 Favored Glycine 0 N--CA 1.484 1.846 0 C-N-CA 120.214 -0.994 . . . . 0.0 110.65 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.27 159.89 21.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.517 -0.99 . . . . 0.0 109.395 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -141.63 73.02 24.62 Favored Pre-proline 0 C--N 1.299 -1.629 0 O-C-N 121.651 -0.656 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.08 161.44 32.61 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.645 2.23 . . . . 0.0 112.072 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -104.25 163.67 12.26 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.755 0.788 . . . . 0.0 110.036 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -42.56 98.26 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.425 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.61 94.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.989 -1.069 . . . . 0.0 110.16 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.05 -43.52 92.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.852 -1.155 . . . . 0.0 109.987 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.47 -28.92 65.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.222 -0.924 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -59.14 -46.38 88.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 109.174 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.55 -41.18 94.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 38.0 ttp -60.22 -51.51 69.28 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.829 -1.17 . . . . 0.0 110.085 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -36.27 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.33 -36.37 73.3 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -61.1 -19.62 61.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.852 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.3 p -133.81 28.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.928 -1.108 . . . . 0.0 111.34 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.2 t0 -90.73 100.47 13.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.782 -1.199 . . . . 0.0 108.705 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 -22.55 18.45 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.068 -1.02 . . . . 0.0 110.34 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.2 p30 -91.9 -11.17 37.07 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.993 -1.067 . . . . 0.0 109.144 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.48 24.89 69.7 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.8 p30 -95.29 1.19 54.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.441 -1.035 . . . . 0.0 110.217 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.43 76.25 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.05 -1.031 . . . . 0.0 110.614 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -142.16 162.2 36.07 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -1.218 . . . . 0.0 108.088 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.69 121.2 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.376 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 63.8 m-20 -91.32 155.7 18.32 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.75 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 12.6 t80 -45.67 -52.9 22.02 Favored Pre-proline 0 C--N 1.3 -1.579 0 O-C-N 121.437 -0.789 . . . . 0.0 112.048 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -59.56 -33.26 96.97 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.898 1.356 . . . . 0.0 111.419 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.59 -43.36 94.09 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -61.66 -45.17 95.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.65 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.26 -40.5 82.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.476 -0.765 . . . . 0.0 109.977 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 109.495 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.3 -41.71 93.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.872 -1.142 . . . . 0.0 110.303 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.71 -24.33 49.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.933 -1.104 . . . . 0.0 108.946 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.557 ' HE ' ' HZ3' ' B' ' 206' ' ' LYS . 55.8 ttp180 -53.48 -21.76 6.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.317 -0.865 . . . . 0.0 109.278 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 27.7 ttpp -58.31 -42.49 86.79 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.35 -41.58 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.049 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -73.73 -20.12 60.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 109.233 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 68.1 m-20 54.39 35.39 22.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.556 -0.715 . . . . 0.0 110.603 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.8 m -70.12 -41.57 73.78 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.852 -1.155 . . . . 0.0 109.267 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' A' ' 74' ' ' ARG . 97.0 m-20 -109.2 -15.07 14.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 109.271 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -49.04 -36.55 18.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.29 -38.71 90.41 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.884 -1.135 . . . . 0.0 109.011 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.81 -46.08 90.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.475 -0.766 . . . . 0.0 111.68 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' B' ' 203' ' ' VAL . 20.2 pt-20 -67.72 -25.22 65.55 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.558 -1.339 . . . . 0.0 111.564 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mt -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.135 -0.978 . . . . 0.0 108.946 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -68.51 -39.65 81.16 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.542 -1.349 . . . . 0.0 110.951 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.06 -37.53 78.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.779 -1.2 . . . . 0.0 110.184 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.12 62.97 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.155 -0.966 . . . . 0.0 109.578 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.2 t80 -57.58 -39.17 76.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.029 -1.044 . . . . 0.0 108.411 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -63.36 -40.6 97.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 110.457 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.39 -41.93 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.278 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -71.45 -40.15 70.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.206 -0.934 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -82.09 85.71 6.71 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.96 -1.088 . . . . 0.0 110.302 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.72 -43.55 93.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.52 -0.738 . . . . 0.0 112.018 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.1 p-10 -69.13 -27.83 65.92 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.749 -1.219 . . . . 0.0 111.511 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.4 16.06 80.07 Favored Glycine 0 N--CA 1.488 2.155 0 C-N-CA 119.412 -1.375 . . . . 0.0 110.256 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.553 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 48.0 p-10 -74.58 -4.5 37.4 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.782 -1.422 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.31 -5.22 84.27 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.553 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.4 m-85 -132.68 136.96 46.76 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.59 130.92 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.336 -1.477 . . . . 0.0 109.732 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -102.01 165.37 11.21 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.333 -0.854 . . . . 0.0 109.986 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.16 94.05 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.386 -0.821 . . . . 0.0 112.872 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.54 84.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 119.951 -1.718 . . . . 0.0 109.551 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 78.4 mt-10 -62.71 -40.7 97.97 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.221 -0.924 . . . . 0.0 111.961 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 109' ' ' MET . 4.4 tt -65.9 -37.21 85.5 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.952 -1.093 . . . . 0.0 111.235 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -67.29 -35.71 80.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.825 -1.172 . . . . 0.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -57.27 -58.29 8.87 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 121.324 -0.86 . . . . 0.0 113.024 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -39.28 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.8 mtp -62.63 -38.71 91.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 110.342 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.3 m -65.84 -40.56 91.86 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.233 -0.917 . . . . 0.0 110.643 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.0 -21.7 66.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.035 -1.04 . . . . 0.0 110.488 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.76 10.67 38.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.66 19.59 78.99 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.99 -1.1 . . . . 0.0 110.374 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -111.85 143.65 42.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.493 -1.004 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -157.81 132.61 8.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.871 . . . . 0.0 109.828 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.705 HD11 ' HB1' ' B' ' 218' ' ' ALA . 2.0 mp -117.46 -171.86 2.12 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -100.82 162.22 13.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.159 -0.963 . . . . 0.0 109.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.53 -39.56 84.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 110.065 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.19 -41.79 97.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.066 -1.021 . . . . 0.0 109.048 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.71 -43.68 95.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.894 . . . . 0.0 109.931 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.08 -36.5 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.59 -43.63 97.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.084 -1.01 . . . . 0.0 109.994 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.21 -38.42 89.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.4 mtt -61.03 -40.87 95.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 109.726 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.33 -43.7 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.037 -1.039 . . . . 0.0 108.576 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.51 -45.37 94.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.094 -1.004 . . . . 0.0 111.044 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.06 -38.9 89.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.964 -1.085 . . . . 0.0 111.25 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 -1.12 57.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.985 -1.072 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.53 82.0 5.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.897 -1.127 . . . . 0.0 110.49 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -45.69 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p-10 -76.0 -25.69 55.99 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.926 -1.109 . . . . 0.0 108.959 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.32 20.65 60.06 Favored Glycine 0 N--CA 1.482 1.74 0 C-N-CA 119.342 -1.409 . . . . 0.0 109.733 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 53.9 p-10 -81.06 -5.25 57.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -1.196 . . . . 0.0 110.146 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.1 83.38 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.758 -1.211 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -137.42 157.95 45.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 108.46 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.43 124.26 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.042 -1.036 . . . . 0.0 109.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.635 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 178.79 4.38 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.639 0.733 . . . . 0.0 109.891 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.0 m-85 -58.41 -40.34 82.2 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.33 -51.76 68.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.439 -0.788 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 90.9 mt-10 -65.77 -39.8 91.38 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 120.84 -1.163 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.57 -49.11 77.99 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.689 -0.632 . . . . 0.0 110.356 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -72.19 -44.46 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 O-C-N 119.969 -1.707 . . . . 0.0 108.609 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -62.32 -40.21 95.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.332 -0.855 . . . . 0.0 110.213 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.6 ttt -60.95 -42.82 98.96 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 147' ' ' ALA . 4.9 mmt -67.27 -36.66 82.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.276 -0.89 . . . . 0.0 112.74 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -71.23 54.74 0.2 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.247 -1.533 . . . . 0.0 109.632 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -107.31 142.34 37.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 0.0 109.461 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.896 -179.815 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.65 ' H3 ' HD22 ' A' ' 32' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.794 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 204' ' ' PHE . 11.1 tpt -66.31 132.36 48.19 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 32.5 p-10 -39.17 -44.69 1.23 Allowed 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.159 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 84' ' ' GLU . 13.5 p -75.9 -34.98 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.195 -0.941 . . . . 0.0 110.016 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' B' ' 201' ' ' MET . 75.1 t80 -58.14 -49.05 78.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.766 -1.209 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.4 mtp -64.47 -41.7 96.33 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.679 -1.263 . . . . 0.0 108.503 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.557 ' HZ3' ' HE ' ' A' ' 74' ' ' ARG . 50.8 tptt -67.39 -37.05 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.542 -0.724 . . . . 0.0 109.758 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -70.17 -2.25 39.15 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 3.4 mt -46.0 -52.4 11.84 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.188 -1.183 . . . . 0.0 109.531 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.0 m -68.21 -40.13 82.22 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.079 -1.013 . . . . 0.0 110.392 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.61 -38.61 88.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 110.223 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -57.83 -25.83 61.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.026 -1.046 . . . . 0.0 109.536 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -142.46 121.73 13.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.118 -0.989 . . . . 0.0 109.417 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 177.62 -103.77 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.74 97.74 Favored Glycine 0 N--CA 1.498 2.808 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.5 -17.39 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.132 -1.217 . . . . 0.0 110.01 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' B' ' 218' ' ' ALA . 54.4 t -61.16 -41.99 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.133 -0.979 . . . . 0.0 109.278 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.16 30.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 109.542 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.705 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -60.16 -39.87 87.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 109.389 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -168.29 -67.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.294 0.569 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -85.02 73.37 10.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.221 -0.924 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -101.03 0.44 38.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.567 -0.708 . . . . 0.0 109.411 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -81.8 141.52 33.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 109.128 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -108.53 156.67 19.23 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.567 0.699 . . . . 0.0 110.674 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.91 -39.56 90.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.951 -1.093 . . . . 0.0 110.147 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.31 -40.37 93.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.759 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.85 -38.84 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.701 -1.249 . . . . 0.0 109.76 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.98 71.16 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.832 -1.167 . . . . 0.0 110.003 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.88 -1.137 . . . . 0.0 110.07 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -86.94 -18.71 30.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.875 -1.141 . . . . 0.0 109.713 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -42.81 96.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.822 -1.174 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -43.27 97.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.948 -1.095 . . . . 0.0 108.948 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.38 80.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.242 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.76 -45.9 85.28 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.301 -0.875 . . . . 0.0 111.296 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.69 -21.82 66.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.906 -1.121 . . . . 0.0 111.636 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -41.15 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.59 -1.319 . . . . 0.0 110.107 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.03 -37.23 75.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.104 -0.998 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 53.4 t0 -82.81 82.2 8.22 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.696 -1.253 . . . . 0.0 109.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.68 -24.63 67.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.231 -0.918 . . . . 0.0 109.756 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.21 -30.0 71.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.0 110.455 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.1 5.88 87.3 Favored Glycine 0 N--CA 1.495 2.594 0 O-C-N 120.325 -1.484 . . . . 0.0 110.101 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -88.33 3.6 49.15 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.382 -1.069 . . . . 0.0 110.04 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.57 87.52 Favored Glycine 0 N--CA 1.489 2.174 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.246 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.19 151.33 49.61 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -1.129 . . . . 0.0 109.07 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.61 129.28 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 74.7 p -105.51 157.0 17.68 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.823 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.8 p -54.6 -35.34 63.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.352 -0.842 . . . . 0.0 110.192 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -66.46 -41.03 89.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.196 -0.94 . . . . 0.0 109.959 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 39.2 mt-10 -65.89 -41.8 91.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.0 111.594 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' SD ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -70.9 -56.56 5.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.988 -1.07 . . . . 0.0 110.451 -178.297 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.76 -40.18 96.29 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.01 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -60.11 -46.61 89.05 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.064 -1.257 . . . . 0.0 109.546 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.98 -40.03 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.772 -1.205 . . . . 0.0 109.61 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.6 ttp -64.56 -34.85 79.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.758 -1.214 . . . . 0.0 108.884 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.64 -34.18 69.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -0.798 . . . . 0.0 109.525 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -56.64 -35.74 68.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.145 -0.972 . . . . 0.0 109.558 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.03 22.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.017 -1.052 . . . . 0.0 108.861 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.589 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.09 42.77 91.7 Favored Glycine 0 N--CA 1.485 1.931 0 O-C-N 121.085 -1.009 . . . . 0.0 110.773 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.611 HE21 ' HB2' ' B' ' 201' ' ' MET . 45.3 mt-30 -115.72 154.03 30.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.998 . . . . 0.0 109.649 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -141.76 69.41 24.79 Favored Pre-proline 0 C--N 1.295 -1.784 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.04 161.78 35.28 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.762 2.308 . . . . 0.0 112.607 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.6 p -104.21 166.56 10.33 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.706 0.765 . . . . 0.0 109.814 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.22 -45.0 92.27 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.721 -0.612 . . . . 0.0 110.262 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.33 -39.47 93.17 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.03 -1.044 . . . . 0.0 110.186 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.5 -46.04 87.93 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.812 -1.18 . . . . 0.0 109.939 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.94 -37.53 84.48 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.4 -0.812 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -59.29 -46.48 88.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.913 -1.117 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.96 -44.44 94.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.136 -0.977 . . . . 0.0 110.393 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mtp -58.78 -57.14 14.32 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.92 -1.112 . . . . 0.0 110.658 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.95 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 110.295 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -58.08 -36.78 73.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.373 -0.829 . . . . 0.0 110.639 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.99 -18.78 59.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 111.763 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.8 p -132.35 26.19 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.049 -1.032 . . . . 0.0 111.46 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -89.77 100.26 13.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.71 -1.244 . . . . 0.0 108.609 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.15 -22.88 18.18 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.067 -1.021 . . . . 0.0 110.463 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 22.9 p30 -90.84 -10.67 41.87 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.989 -1.069 . . . . 0.0 109.15 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.69 24.57 69.78 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.527 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.9 p30 -95.9 1.04 52.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.329 -1.1 . . . . 0.0 110.115 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.04 20.26 76.18 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.032 -1.042 . . . . 0.0 110.511 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.421 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.6 160.93 39.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.13 -1.218 . . . . 0.0 108.082 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.9 mt -100.4 121.41 51.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.4 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.5 m-20 -91.22 155.18 18.77 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.905 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.7 t80 -45.03 -52.72 18.57 Favored Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 111.958 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.27 -34.43 98.03 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 CA-C-N 120.843 1.337 . . . . 0.0 111.415 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.25 -43.63 94.29 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.72 -45.3 94.55 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 0.0 110.608 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.66 -39.45 77.1 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.802 0.811 . . . . 0.0 109.779 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.79 -42.68 94.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.832 -0.543 . . . . 0.0 109.764 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.26 -41.26 97.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.97 . . . . 0.0 109.377 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.92 -42.35 93.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.044 -1.035 . . . . 0.0 110.378 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.88 -24.12 48.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.773 -1.204 . . . . 0.0 109.008 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -54.94 -21.65 12.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.846 . . . . 0.0 109.796 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -58.31 -42.45 86.72 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.4 OUTLIER -61.73 -39.77 92.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 109.267 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.93 -39.31 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.117 -0.989 . . . . 0.0 109.58 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 15.6 t0 67.39 55.78 0.64 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.849 -0.532 . . . . 0.0 109.721 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -77.2 0.56 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 81' ' ' SER . 58.4 p30 -81.47 -14.12 57.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.869 -1.144 . . . . 0.0 108.613 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 95.9 p -48.35 -29.25 3.76 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.74 -41.14 99.05 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.068 -1.02 . . . . 0.0 108.286 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 80' ' ' ASP . 88.3 tt0 -63.91 -46.11 86.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.51 -0.744 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 20.1 mp0 -68.77 -36.87 78.86 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.096 -1.002 . . . . 0.0 110.401 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.97 -42.78 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.131 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.95 -37.34 85.76 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 120.838 -1.164 . . . . 0.0 109.777 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.44 -38.93 93.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.963 -1.086 . . . . 0.0 109.626 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -28.16 38.09 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.12 -0.987 . . . . 0.0 109.09 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -56.28 -39.22 72.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.49 -36.77 83.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.537 -0.727 . . . . 0.0 109.853 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.7 -39.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.765 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.12 -40.21 71.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.197 -0.94 . . . . 0.0 109.787 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -82.57 82.21 8.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.018 -1.051 . . . . 0.0 110.095 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.92 -42.5 97.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.369 -0.832 . . . . 0.0 111.346 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.7 p-10 -68.51 -26.62 65.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.92 -1.112 . . . . 0.0 110.905 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.81 16.37 80.82 Favored Glycine 0 N--CA 1.488 2.103 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.07 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -70.46 -5.37 28.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.896 -1.355 . . . . 0.0 108.795 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.48 2.18 82.73 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -137.92 144.68 41.4 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -96.26 129.07 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.631 -1.293 . . . . 0.0 109.596 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.0 p -106.29 166.01 10.84 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.02 0.914 . . . . 0.0 110.633 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.95 93.12 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.881 -0.512 . . . . 0.0 111.88 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.77 88.56 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 108.748 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.18 -41.14 96.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.158 -0.964 . . . . 0.0 109.689 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.427 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.14 -41.16 90.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.748 . . . . 0.0 110.476 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.29 -39.41 90.32 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 109.937 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.28 -61.89 1.96 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.86 -40.79 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.19 -0.944 . . . . 0.0 109.529 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.427 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.5 mtp -63.18 -38.17 90.13 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.926 -1.109 . . . . 0.0 109.951 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.847 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 96.2 m -65.39 -40.35 93.33 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.256 -0.903 . . . . 0.0 110.991 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -64.58 -22.19 66.9 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.191 -0.943 . . . . 0.0 111.638 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.07 8.02 34.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.808 -1.183 . . . . 0.0 110.218 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.97 84.72 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -105.44 137.51 43.14 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.555 -0.967 . . . . 0.0 109.101 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.847 ' NZ ' HG23 ' A' ' 110' ' ' THR . 68.6 mttm -141.94 120.27 12.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.411 -0.806 . . . . 0.0 109.982 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.86 -177.78 3.22 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.4 p -101.28 162.32 12.98 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.251 -0.905 . . . . 0.0 109.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -38.83 79.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.12 -0.988 . . . . 0.0 109.922 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.1 -39.9 94.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.1 -1.0 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.23 -44.43 91.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.0 109.808 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.46 -37.33 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.66 -44.12 96.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.07 -1.019 . . . . 0.0 109.171 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.86 -38.24 90.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttt -58.54 -40.65 83.57 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 120.931 -1.106 . . . . 0.0 108.789 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.36 -44.68 97.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.397 -0.814 . . . . 0.0 109.361 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -61.26 -45.63 93.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.037 -1.04 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.33 -38.56 87.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.04 -1.038 . . . . 0.0 111.07 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.34 5.95 35.97 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.089 -1.007 . . . . 0.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -83.35 77.88 9.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.892 -1.13 . . . . 0.0 110.72 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -46.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.938 -1.101 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.2 p-10 -76.15 -25.9 55.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.005 -1.059 . . . . 0.0 109.222 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.53 19.71 61.5 Favored Glycine 0 N--CA 1.482 1.722 0 C-N-CA 119.232 -1.461 . . . . 0.0 109.913 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.0 p-10 -81.08 -8.52 59.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.11 -1.229 . . . . 0.0 110.515 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.46 -4.43 84.16 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.336 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.02 163.68 27.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.198 -1.178 . . . . 0.0 108.536 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -98.2 123.94 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.006 . . . . 0.0 108.412 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.33 -177.39 3.31 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.862 0.839 . . . . 0.0 110.613 -178.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.7 m-85 -59.09 -41.33 87.81 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.374 0.607 . . . . 0.0 109.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.22 -49.41 77.71 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.365 -0.834 . . . . 0.0 109.497 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' MET . 85.3 mt-10 -70.44 -41.0 73.44 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.449 -0.782 . . . . 0.0 109.704 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.75 -46.67 88.59 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.792 -0.568 . . . . 0.0 111.162 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.42 -45.27 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.058 -1.651 . . . . 0.0 107.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -73.8 -20.47 60.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.092 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.1 tmt? -58.39 -43.73 88.66 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.802 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -74.22 -7.74 53.74 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.884 -1.135 . . . . 0.0 113.268 -178.193 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.21 42.65 0.15 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 119.762 -1.836 . . . . 0.0 108.709 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 145' ' ' MET . . . -106.21 138.04 43.1 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.109 -179.87 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.802 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.611 ' HB2' HE21 ' A' ' 41' ' ' GLN . 66.9 mtt -91.44 -3.94 56.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.226 -0.921 . . . . 0.0 109.983 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 37.2 p-10 -59.6 -37.8 79.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.784 -1.198 . . . . 0.0 108.877 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.533 ' O ' HG22 ' B' ' 203' ' ' VAL . 1.7 p -59.19 -6.54 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.576 -0.703 . . . . 0.0 110.112 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.77 -47.3 67.59 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.272 -1.518 . . . . 0.0 110.373 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.463 ' SD ' HD21 ' A' ' 32' ' ' LEU . 99.0 mtp -62.36 -45.34 93.6 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.54 -1.35 . . . . 0.0 110.572 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -70.42 -39.38 74.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.954 -1.091 . . . . 0.0 110.32 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' B' ' 208' ' ' LEU . . . -70.43 -0.6 31.43 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.6 OUTLIER -36.67 -53.8 0.9 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.807 -0.819 . . . . 0.0 109.904 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 74.3 m -69.53 -39.11 77.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.036 -1.04 . . . . 0.0 110.017 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.407 ' HA ' ' H ' ' B' ' 214' ' ' GLY . 69.1 mttm -63.37 -19.87 65.03 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.46 -0.775 . . . . 0.0 110.388 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.16 77.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.884 -1.135 . . . . 0.0 109.193 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -122.28 -44.11 2.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 109.521 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.36 -39.46 89.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.188 -0.945 . . . . 0.0 110.118 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.407 ' H ' ' HA ' ' B' ' 210' ' ' LYS . . . -60.21 -40.05 96.79 Favored Glycine 0 N--CA 1.499 2.882 0 C-N-CA 119.87 -1.157 . . . . 0.0 110.649 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -7.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 120.673 -1.486 . . . . 0.0 109.587 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' B' ' 218' ' ' ALA . 51.1 t -61.28 -40.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.29 21.29 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 109.965 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.57 -40.06 90.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.041 . . . . 0.0 109.155 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -162.05 -93.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.411 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -88.26 -2.77 58.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.371 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.7 -42.01 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.172 -0.955 . . . . 0.0 109.353 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp -67.81 145.14 54.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 108.819 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.7 p -108.72 156.91 19.05 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.557 0.694 . . . . 0.0 110.548 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.99 -39.71 94.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.529 -0.732 . . . . 0.0 110.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 41.6 mp0 -61.5 -38.67 88.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -61.25 -41.2 96.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.012 -1.055 . . . . 0.0 110.256 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.48 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.73 -1.232 . . . . 0.0 109.705 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.63 75.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.872 -1.142 . . . . 0.0 109.862 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.33 -43.11 99.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 0.0 110.395 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -87.18 -18.84 29.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.2 -43.08 96.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.854 -1.154 . . . . 0.0 109.15 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.47 -45.91 92.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.964 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.55 80.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 109.374 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -56.99 -45.39 83.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 0.0 111.139 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -63.23 -21.76 66.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.112 . . . . 0.0 111.858 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -42.08 87.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.404 -1.435 . . . . 0.0 110.032 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -69.8 -37.34 76.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.044 -1.035 . . . . 0.0 109.408 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 54.3 t0 -83.16 81.22 8.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.731 -1.231 . . . . 0.0 109.59 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.23 -22.95 66.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.22 -0.925 . . . . 0.0 109.851 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.02 -29.55 70.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.157 -0.964 . . . . 0.0 110.248 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.03 4.72 88.92 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 120.384 -1.447 . . . . 0.0 110.174 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.3 p30 -87.11 2.15 50.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.428 -1.042 . . . . 0.0 110.009 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.27 9.26 86.77 Favored Glycine 0 N--CA 1.49 2.249 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.442 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 73.4 p -136.38 150.48 48.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.195 -1.179 . . . . 0.0 109.116 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.34 129.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 66.7 p -107.91 157.27 18.34 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.238 0.542 . . . . 0.0 109.624 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -55.17 -34.59 63.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -65.82 -41.32 91.97 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.92 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 41.9 mt-10 -65.88 -42.53 90.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.453 -0.779 . . . . 0.0 111.722 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -55.32 8.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.013 -1.054 . . . . 0.0 110.417 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.16 96.1 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.319 -1.42 . . . . 0.0 109.871 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.9 m -59.73 -46.35 89.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.91 -1.347 . . . . 0.0 109.409 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.74 -39.92 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.643 -1.286 . . . . 0.0 109.738 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.409 ' HG2' ' NE2' ' A' ' 41' ' ' GLN . 54.2 ttp -64.94 -34.78 79.22 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.635 -1.291 . . . . 0.0 108.85 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -57.48 -34.48 69.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.314 -0.866 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.622 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -54.29 -33.42 58.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 109.072 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 22.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.165 -0.959 . . . . 0.0 108.763 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 61.17 47.2 92.31 Favored Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' NE2' ' HG2' ' A' ' 36' ' ' MET . 20.9 mt-30 -124.29 163.7 21.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.59 -0.947 . . . . 0.0 110.604 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 13.0 p30 -143.29 76.39 16.36 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.43 162.52 39.96 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.633 2.222 . . . . 0.0 112.923 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -105.67 168.39 9.14 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.803 0.811 . . . . 0.0 110.371 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -59.94 -42.91 95.02 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.804 -0.56 . . . . 0.0 110.208 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 110.12 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' OE2' ' H2 ' ' B' ' 200' ' ' ACE . 86.9 tt0 -66.13 -46.9 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.777 -1.202 . . . . 0.0 110.153 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.62 -40.41 92.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.135 -0.978 . . . . 0.0 109.685 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -63.11 -46.84 85.42 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.929 -1.107 . . . . 0.0 108.55 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.467 -0.77 . . . . 0.0 110.817 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 8.0 mtm -62.71 -51.89 65.4 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.012 -1.055 . . . . 0.0 110.628 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -37.77 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.951 -1.093 . . . . 0.0 110.663 -178.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -56.68 -33.88 66.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.412 -0.805 . . . . 0.0 110.055 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.72 -19.22 48.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 111.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -133.65 25.32 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 O-C-N 121.076 -1.015 . . . . 0.0 111.635 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 68.3 t0 -90.29 103.45 16.13 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.609 -1.307 . . . . 0.0 108.712 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.32 -24.2 17.5 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.108 -0.995 . . . . 0.0 110.636 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.7 p30 -88.81 -9.54 51.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.88 -1.138 . . . . 0.0 109.02 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.35 24.17 68.91 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.64 1.03 55.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.413 -1.051 . . . . 0.0 109.796 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.11 18.75 76.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -141.9 161.2 38.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.17 -1.194 . . . . 0.0 107.895 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.1 mt -100.92 121.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 49.3 m-20 -89.45 153.78 20.56 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.051 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -48.06 -46.35 64.98 Favored Pre-proline 0 C--N 1.3 -1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 111.716 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.64 -37.21 81.22 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 CA-C-N 121.176 1.456 . . . . 0.0 110.903 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.95 -43.83 98.03 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.1 -43.85 98.25 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.569 0.699 . . . . 0.0 109.958 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.03 -40.74 85.95 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.819 0.818 . . . . 0.0 109.927 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -62.0 -45.08 95.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.743 -0.598 . . . . 0.0 109.438 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.39 -40.91 96.08 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.205 -0.935 . . . . 0.0 109.587 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.4 mmm -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.071 -1.018 . . . . 0.0 110.726 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.58 49.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.962 -1.086 . . . . 0.0 108.742 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.52 -26.63 61.65 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.591 -0.693 . . . . 0.0 109.511 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.658 ' HZ3' ' H ' ' B' ' 209' ' ' SER . 98.2 mttt -59.29 -41.69 89.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -38.71 90.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 109.206 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -70.71 -16.11 62.76 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.005 -1.059 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 50.1 t0 56.62 53.16 8.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.301 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -67.97 0.82 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.199 -0.938 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.8 -17.07 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.886 -1.134 . . . . 0.0 108.818 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.444 ' OG ' ' OD1' ' A' ' 78' ' ' ASP . 89.8 p -49.23 -30.05 6.55 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -63.98 -36.84 85.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.989 -1.069 . . . . 0.0 109.337 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.95 -42.53 94.24 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.998 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.624 ' HB2' HG23 ' B' ' 203' ' ' VAL . 12.3 pt-20 -70.75 -24.68 62.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.779 -1.201 . . . . 0.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.33 -47.48 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.07 -1.019 . . . . 0.0 108.981 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.49 -38.44 87.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.576 -1.327 . . . . 0.0 110.327 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.84 -36.88 84.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.006 -1.059 . . . . 0.0 109.832 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.31 63.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.201 -0.937 . . . . 0.0 109.845 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 28.5 t80 -57.74 -39.58 77.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.081 -1.012 . . . . 0.0 108.905 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -64.3 -40.24 95.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.391 -0.818 . . . . 0.0 110.578 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.57 -39.6 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 109.794 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.24 -41.97 66.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.422 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.65 86.39 6.99 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.867 -1.145 . . . . 0.0 110.25 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -77.12 -22.12 53.14 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.077 -1.015 . . . . 0.0 111.035 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 98.0 m-20 -68.52 -29.42 68.01 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.857 -1.152 . . . . 0.0 110.61 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.44 88.12 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.6 p-10 -68.83 -8.32 42.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 109.512 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.71 2.53 86.7 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.4 m-85 -135.81 144.96 46.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.8 mt -96.44 128.23 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 109.796 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -106.05 164.88 11.63 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.206 -0.934 . . . . 0.0 110.425 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.48 90.29 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.873 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.1 84.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.27 -1.518 . . . . 0.0 108.472 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.7 mt-10 -60.85 -41.28 95.55 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.108 -0.995 . . . . 0.0 109.754 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.83 -42.11 86.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 110.881 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.1 -38.63 86.99 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.636 -1.29 . . . . 0.0 110.07 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -64.65 -62.39 1.61 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.325 -0.859 . . . . 0.0 112.996 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.34 -40.25 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.027 -1.046 . . . . 0.0 109.491 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.417 ' SD ' HD23 ' A' ' 105' ' ' LEU . 96.9 mtp -62.75 -38.58 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 110.046 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -65.58 -40.29 92.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -0.929 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.9 -22.52 66.96 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.069 -1.019 . . . . 0.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.3 mt -91.86 7.04 43.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.739 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.49 12.75 82.64 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' OE2' HG21 ' B' ' 215' ' ' VAL . 83.7 tt0 -102.17 127.95 48.89 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.944 . . . . 0.0 109.168 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -137.8 118.88 14.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.518 -0.739 . . . . 0.0 109.418 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -113.18 -175.63 2.71 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -101.3 159.36 15.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.1 p-10 -57.36 -36.43 71.2 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.239 -0.913 . . . . 0.0 110.085 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.533 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -63.7 -39.84 95.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.25 -44.99 90.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.227 -0.92 . . . . 0.0 109.809 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.79 -37.85 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.06 -44.79 96.86 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.209 -0.932 . . . . 0.0 109.594 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -37.64 88.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.941 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 ttt -57.69 -40.14 78.76 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 120.942 -1.099 . . . . 0.0 108.478 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.31 -41.52 89.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.61 -42.8 98.18 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.387 -0.821 . . . . 0.0 111.315 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.42 -40.01 77.52 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.918 -1.114 . . . . 0.0 111.161 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.07 27.26 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.382 -0.824 . . . . 0.0 111.038 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.21 76.44 8.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.936 -1.103 . . . . 0.0 110.442 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.39 -47.3 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.977 -1.077 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.1 p-10 -75.94 -26.0 56.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.841 -1.162 . . . . 0.0 108.947 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.66 20.0 62.62 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.806 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 54.6 p-10 -80.22 -8.37 59.41 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.153 -1.204 . . . . 0.0 110.231 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.38 -4.61 85.39 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.363 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.1 mp0 -130.72 164.43 25.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -1.188 . . . . 0.0 108.71 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.5 124.03 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.28 -176.82 3.16 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.941 0.877 . . . . 0.0 110.607 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.594 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 9.5 m-85 -59.52 -41.3 89.63 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.59 -49.83 75.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.329 -0.857 . . . . 0.0 109.558 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' MET . 93.5 mt-10 -69.02 -41.89 77.13 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.283 -0.885 . . . . 0.0 109.736 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.98 -47.93 84.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.636 -0.665 . . . . 0.0 111.176 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.245 -1.534 . . . . 0.0 107.936 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -74.52 -21.92 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 111.124 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.5 tmt? -58.21 -44.34 88.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.165 -0.959 . . . . 0.0 110.957 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -72.82 -7.05 48.92 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.043 -1.035 . . . . 0.0 113.464 -178.21 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.53 42.15 0.12 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 119.658 -1.901 . . . . 0.0 108.852 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 145' ' ' MET . . . -106.32 142.35 36.13 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.035 -1.04 . . . . 0.0 109.034 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.486 ' H2 ' ' OE2' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--O 1.215 -0.724 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.403 ' HG3' HE22 ' A' ' 41' ' ' GLN . 93.1 mmm -98.8 19.61 14.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 109.795 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.465 ' N ' ' SD ' ' A' ' 51' ' ' MET . 63.2 t0 -53.11 -30.05 34.31 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.624 HG23 ' HB2' ' A' ' 84' ' ' GLU . 3.0 p -66.84 -26.2 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.449 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -57.77 -48.59 79.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.304 -1.497 . . . . 0.0 109.371 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.2 mtp -65.91 -41.83 90.96 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 120.957 -1.09 . . . . 0.0 109.338 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.71 -25.57 59.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.074 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -75.07 -5.38 75.78 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 4.1 mt -49.93 -48.85 51.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -1.163 . . . . 0.0 109.824 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.658 ' H ' ' HZ3' ' A' ' 75' ' ' LYS . 80.2 p -73.03 -23.07 60.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.058 -1.026 . . . . 0.0 110.917 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -93.67 0.53 56.51 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.96 -1.087 . . . . 0.0 110.53 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.25 85.55 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.035 -1.041 . . . . 0.0 109.884 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -129.04 -44.92 1.27 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.24 -0.912 . . . . 0.0 109.811 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 216' ' ' VAL . 99.2 mt-10 -70.1 -23.76 63.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.773 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -59.31 -39.95 95.33 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.422 HG21 ' OE2' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -62.3 -0.5 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.777 -1.425 . . . . 0.0 109.532 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 213' ' ' GLU . 42.5 t -60.93 -38.17 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.253 -0.905 . . . . 0.0 109.914 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -54.76 -20.3 8.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 110.153 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -60.22 -40.11 89.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.858 -1.151 . . . . 0.0 109.301 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 66.77 144.13 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -86.46 2.31 48.27 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -166.31 156.51 12.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.862 . . . . 0.0 109.263 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp -82.39 143.21 31.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 108.821 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p -108.34 157.28 18.52 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.664 0.745 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.74 -38.2 90.23 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.716 -0.615 . . . . 0.0 109.656 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.05 -35.18 77.83 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.301 -0.875 . . . . 0.0 110.743 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -59.07 -38.88 80.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.836 -1.165 . . . . 0.0 109.833 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -60.33 -38.14 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.587 -1.32 . . . . 0.0 108.448 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.93 74.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.33 -42.76 96.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.887 -1.133 . . . . 0.0 109.832 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.07 -13.83 46.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.063 -1.023 . . . . 0.0 108.869 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.99 -44.38 92.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.861 -1.149 . . . . 0.0 109.527 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.07 -46.0 89.37 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.296 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.69 74.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.486 -0.759 . . . . 0.0 110.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -57.49 -47.4 82.0 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.037 -1.039 . . . . 0.0 111.451 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -59.69 -37.06 77.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.852 -1.155 . . . . 0.0 111.389 -177.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -39.77 71.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.77 -1.206 . . . . 0.0 110.382 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -67.49 -39.98 85.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.622 -1.298 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -83.5 85.9 7.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.669 -1.269 . . . . 0.0 109.557 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.66 -34.84 76.43 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -23.98 67.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.107 . . . . 0.0 110.004 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 18.22 75.9 Favored Glycine 0 N--CA 1.497 2.749 0 O-C-N 120.553 -1.342 . . . . 0.0 110.113 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -91.45 4.79 51.65 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.306 -1.114 . . . . 0.0 109.863 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 8.21 87.91 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -135.75 148.22 48.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.335 -1.097 . . . . 0.0 109.143 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.8 mt -101.46 130.98 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -108.16 157.52 18.23 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.303 0.573 . . . . 0.0 110.221 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 p -55.26 -36.35 65.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.329 -0.857 . . . . 0.0 110.233 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -64.73 -41.85 95.63 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.036 -1.04 . . . . 0.0 109.729 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -41.08 91.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 111.638 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -57.66 4.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.888 -1.133 . . . . 0.0 110.768 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.21 98.1 Favored Glycine 0 N--CA 1.485 1.944 0 C-N-CA 119.361 -1.4 . . . . 0.0 110.28 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -60.46 -46.64 89.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.978 -1.307 . . . . 0.0 109.422 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.57 -39.33 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 120.741 -1.224 . . . . 0.0 109.543 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 50.9 ttp -64.99 -34.06 77.54 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.901 -1.124 . . . . 0.0 108.81 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -58.02 -34.53 70.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.39 -0.819 . . . . 0.0 109.391 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.2 t -55.81 -37.26 68.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 109.362 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 21.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.173 -0.954 . . . . 0.0 108.925 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.51 39.96 94.15 Favored Glycine 0 N--CA 1.483 1.806 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' CG ' ' SD ' ' B' ' 201' ' ' MET . 48.0 mt-30 -112.38 154.66 25.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.565 -0.962 . . . . 0.0 109.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.9 p30 -141.64 69.46 25.42 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.548 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.61 160.85 37.73 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.739 2.292 . . . . 0.0 112.716 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.1 p -102.97 167.73 9.65 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.714 0.768 . . . . 0.0 109.764 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -59.98 -43.6 95.01 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.005 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.56 94.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.16 -0.962 . . . . 0.0 110.067 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.83 -45.85 87.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.137 . . . . 0.0 109.916 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.14 -38.62 85.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.61 -46.05 91.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.898 -1.126 . . . . 0.0 109.624 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -61.27 -43.78 98.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 110.547 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.46 -58.94 6.31 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -37.44 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.301 -0.874 . . . . 0.0 110.517 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.82 -36.7 72.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.26 -0.9 . . . . 0.0 110.76 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.68 -21.35 64.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.928 -1.108 . . . . 0.0 111.649 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.2 p -125.62 21.51 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.099 -1.001 . . . . 0.0 111.19 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 68.0 t0 -88.45 100.67 13.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.805 -1.184 . . . . 0.0 108.807 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -24.25 17.43 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.254 -0.904 . . . . 0.0 110.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.515 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 28.5 p30 -91.62 -8.14 48.1 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.815 -1.178 . . . . 0.0 109.208 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.8 25.01 68.74 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.515 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.6 p30 -94.79 0.64 55.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.263 -1.139 . . . . 0.0 109.941 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.4 20.35 75.23 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -141.0 162.37 35.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -1.17 . . . . 0.0 108.135 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -102.33 123.49 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.835 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -98.87 160.8 14.01 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.262 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -52.12 16.0 Favored Pre-proline 0 C--N 1.301 -1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 111.548 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.61 -38.49 71.91 Favored 'Trans proline' 0 N--CA 1.488 1.201 0 CA-C-N 119.907 1.003 . . . . 0.0 111.147 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.39 -45.11 92.61 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.5 -47.67 80.76 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.502 0.668 . . . . 0.0 111.599 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.04 -38.02 81.54 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.973 0.892 . . . . 0.0 109.464 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -64.33 -42.74 96.14 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.6 ttp -64.64 -42.31 95.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.99 -1.069 . . . . 0.0 109.486 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.51 -40.92 93.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 110.401 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.57 50.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.177 . . . . 0.0 109.213 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.02 -20.11 22.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.39 -0.819 . . . . 0.0 110.287 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HZ2' ' HG3' ' B' ' 210' ' ' LYS . 87.5 tttt -57.6 -43.71 84.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.196 -0.94 . . . . 0.0 108.581 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.42 90.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.375 -0.828 . . . . 0.0 109.099 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -70.42 -24.63 62.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.001 -1.062 . . . . 0.0 109.482 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t0 58.05 55.36 5.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.286 -0.884 . . . . 0.0 110.106 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -69.77 0.74 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.139 -0.975 . . . . 0.0 109.784 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -87.03 -17.86 31.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.869 -1.144 . . . . 0.0 108.805 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -49.32 -33.74 14.0 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.13 -43.5 98.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.945 -1.097 . . . . 0.0 108.828 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.62 -39.85 91.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' HB3' HG23 ' B' ' 203' ' ' VAL . 80.7 mm-40 -71.42 -35.7 71.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.31 -42.74 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.61 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -67.42 -37.62 83.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' HG3' ' H3 ' ' B' ' 200' ' ' ACE . 52.8 tp10 -64.04 -39.31 93.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.969 -1.082 . . . . 0.0 109.885 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.99 -26.92 28.45 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.1 t80 -55.57 -39.81 71.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -64.99 -39.84 94.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.454 -0.779 . . . . 0.0 110.538 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -39.44 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -71.81 -40.24 69.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -83.59 82.24 8.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.967 -1.083 . . . . 0.0 110.524 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.42 -39.17 93.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.594 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.7 m-20 -67.42 -28.97 68.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.161 -0.962 . . . . 0.0 110.401 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 13.03 83.68 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 16.4 p-10 -68.83 -9.25 50.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.132 -1.217 . . . . 0.0 109.468 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.77 3.05 71.41 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.6 m-85 -139.48 144.04 37.79 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.9 mp -96.63 129.47 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.013 -1.055 . . . . 0.0 109.486 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.3 p -106.04 165.7 11.03 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.97 0.89 . . . . 0.0 110.596 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.63 92.1 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.825 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.62 87.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.32 -1.488 . . . . 0.0 108.699 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 84.2 mt-10 -61.21 -40.94 95.86 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.41 -40.02 92.86 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.434 -0.791 . . . . 0.0 110.426 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -62.07 -38.88 90.47 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.623 -1.298 . . . . 0.0 110.016 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -64.69 -61.19 2.34 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.277 -0.89 . . . . 0.0 112.484 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.49 -41.21 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.136 -0.978 . . . . 0.0 109.729 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.442 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.4 mtp -63.36 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.944 -1.097 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -65.86 -40.29 91.54 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.175 -0.953 . . . . 0.0 111.011 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.42 -23.21 67.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.128 -0.982 . . . . 0.0 111.655 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.9 mt -87.35 8.86 22.57 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.676 -1.265 . . . . 0.0 110.1 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.33 11.1 84.63 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -105.32 138.81 40.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.626 -0.926 . . . . 0.0 109.091 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -143.58 120.4 11.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -0.797 . . . . 0.0 109.754 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.8 -177.1 3.05 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -100.79 162.14 13.11 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.302 -0.874 . . . . 0.0 109.034 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.45 -40.22 82.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.149 -0.969 . . . . 0.0 110.127 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.68 -39.8 92.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.13 -43.84 94.05 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -71.69 -37.61 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -60.47 -45.02 95.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.121 -0.987 . . . . 0.0 109.013 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.45 -36.68 84.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.87 -41.45 82.51 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.979 -1.076 . . . . 0.0 108.483 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.83 -41.51 92.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -59.8 -46.44 89.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 0.0 110.614 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.39 -39.03 85.59 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.097 -1.002 . . . . 0.0 111.644 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.22 -7.91 59.21 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.701 -1.249 . . . . 0.0 110.458 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.12 92.45 5.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.986 -1.071 . . . . 0.0 110.428 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.86 -45.13 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.285 -0.885 . . . . 0.0 111.722 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p30 -94.32 -25.84 16.82 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.935 -1.103 . . . . 0.0 110.282 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 110.82 -113.25 3.42 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 107.559 -2.216 . . . . 0.0 107.559 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER 62.24 -20.06 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.056 -1.261 . . . . 0.0 110.283 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 81.17 3.86 90.59 Favored Glycine 0 N--CA 1.494 2.502 0 O-C-N 120.783 -1.198 . . . . 0.0 110.755 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.575 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 40.0 mt-30 -142.11 -178.56 5.77 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.062 -1.258 . . . . 0.0 109.317 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.07 126.58 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.82 176.61 5.08 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.987 0.898 . . . . 0.0 110.477 -178.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 5.7 m-85 -58.21 -38.81 77.52 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.19 -49.34 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.486 -0.759 . . . . 0.0 109.81 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.89 -39.81 76.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.357 -0.839 . . . . 0.0 109.207 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.66 -46.64 84.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.897 -0.502 . . . . 0.0 110.798 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.7 -43.44 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 O-C-N 119.939 -1.726 . . . . 0.0 108.039 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.02 -40.35 97.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.486 -0.758 . . . . 0.0 110.262 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.0 ttt -61.39 -47.89 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 110.45 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 mtp -71.77 -39.32 70.04 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.191 -0.943 . . . . 0.0 111.818 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 57.3 0.3 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.674 -1.266 . . . . 0.0 109.376 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.16 139.61 40.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.183 -0.948 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.302 -179.913 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.468 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.452 ' SD ' ' CG ' ' A' ' 41' ' ' GLN . 66.9 mtt -85.21 -4.97 59.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 109.864 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 38.1 p-10 -59.41 -37.36 77.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.857 -1.152 . . . . 0.0 109.319 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 3.4 p -61.04 -7.02 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.481 -0.762 . . . . 0.0 110.253 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.08 -47.83 71.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.393 -1.442 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.45 -45.92 88.65 Favored 'General case' 0 N--CA 1.512 2.66 0 O-C-N 120.575 -1.328 . . . . 0.0 110.828 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -71.06 -39.66 72.1 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.802 -1.186 . . . . 0.0 110.132 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -70.8 -0.23 32.1 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.5 OUTLIER -36.1 -52.29 0.77 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.838 -0.801 . . . . 0.0 109.642 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.6 m -68.48 -38.45 81.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 0.0 109.867 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 207' ' ' GLY . 60.5 mtpt -87.38 3.13 48.24 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.316 -0.865 . . . . 0.0 110.848 -178.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -59.71 -37.24 78.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.764 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.447 ' O ' HG12 ' B' ' 215' ' ' VAL . 25.7 pttm -156.97 -32.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.697 -1.252 . . . . 0.0 109.769 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -65.27 -37.87 88.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.25 -39.8 96.49 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.715 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.8 OUTLIER -54.93 -13.88 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.611 -1.523 . . . . 0.0 109.755 -179.136 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' B' ' 218' ' ' ALA . 55.3 t -61.37 -39.83 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.693 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -63.25 8.32 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.132 -0.98 . . . . 0.0 110.342 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.09 -40.06 88.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.973 -1.079 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -175.34 175.66 2.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.166 -0.959 . . . . 0.0 109.469 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -89.07 4.82 47.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -61.71 -42.4 98.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 109.34 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.4 tp -79.3 142.72 35.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.166 -0.959 . . . . 0.0 108.9 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -108.39 155.74 20.22 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.689 0.756 . . . . 0.0 110.639 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -66.6 -40.8 89.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.604 -0.685 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -63.33 -38.72 92.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.164 -0.96 . . . . 0.0 110.455 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -39.88 91.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.059 -1.026 . . . . 0.0 109.944 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.83 -38.83 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.78 73.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.922 -1.111 . . . . 0.0 109.526 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.746 -1.221 . . . . 0.0 110.406 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.68 -21.23 28.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.78 -43.35 99.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.694 -1.254 . . . . 0.0 108.942 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.43 -46.31 89.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.12 86.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.944 . . . . 0.0 109.337 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.19 -45.49 87.49 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 111.054 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -59.76 -37.01 77.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.003 -1.061 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -41.46 68.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.676 -1.265 . . . . 0.0 110.207 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -67.8 -38.07 82.84 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.753 -1.217 . . . . 0.0 109.62 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -84.5 84.36 7.68 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.703 -1.248 . . . . 0.0 110.077 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.81 -26.77 68.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.125 -0.984 . . . . 0.0 110.391 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.15 -26.99 69.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.938 -1.101 . . . . 0.0 109.92 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.29 13.61 79.64 Favored Glycine 0 N--CA 1.496 2.672 0 O-C-N 120.529 -1.357 . . . . 0.0 110.357 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -93.92 5.83 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.298 -1.119 . . . . 0.0 109.84 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.78 11.99 84.91 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -137.2 148.5 46.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -1.105 . . . . 0.0 109.026 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -105.32 130.44 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -106.25 156.54 18.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -54.67 -36.33 64.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.261 -0.899 . . . . 0.0 110.201 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -65.46 -41.98 92.82 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.978 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.611 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -56.14 6.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.54 97.11 Favored Glycine 0 N--CA 1.486 2.027 0 C-N-CA 119.191 -1.48 . . . . 0.0 109.868 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 93.9 m -59.23 -47.34 85.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.756 -1.438 . . . . 0.0 109.518 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.76 -38.24 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.67 -1.269 . . . . 0.0 109.388 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 41.9 ttp -65.6 -35.89 82.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.019 -1.051 . . . . 0.0 109.217 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' NH2' ' N ' ' A' ' 34' ' ' THR . 68.1 mtm-85 -57.21 -30.65 64.74 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.189 -0.945 . . . . 0.0 109.264 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.1 t -56.85 -37.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 18.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.48 43.54 92.2 Favored Glycine 0 N--CA 1.488 2.108 0 O-C-N 121.289 -0.882 . . . . 0.0 111.385 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.624 ' HG3' ' H3 ' ' B' ' 200' ' ' ACE . 34.2 mm-40 -113.05 153.92 27.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.353 -1.086 . . . . 0.0 110.038 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -140.0 68.61 35.25 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.65 164.45 25.79 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 123.168 2.578 . . . . 0.0 113.031 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 p -104.02 163.93 12.05 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.705 0.764 . . . . 0.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -59.77 -42.65 93.79 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.011 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.33 93.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.005 . . . . 0.0 110.298 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.11 -46.86 85.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.836 -1.165 . . . . 0.0 110.249 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.98 -36.69 80.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.179 -0.951 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.37 -47.58 84.89 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.942 -1.099 . . . . 0.0 109.882 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' OE2' ' A' ' 54' ' ' GLU . 67.0 t0 -60.0 -43.61 95.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.873 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.8 mtt -63.92 -53.69 46.45 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.127 -0.983 . . . . 0.0 110.67 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -38.83 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.422 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -59.7 -39.63 85.23 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.379 -0.826 . . . . 0.0 111.537 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 50' ' ' ASP . 87.9 mt-10 -61.29 -40.07 92.76 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.036 -1.04 . . . . 0.0 112.255 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.49 3.57 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.812 -1.18 . . . . 0.0 110.474 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -79.41 108.41 12.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.016 -1.053 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.37 -24.66 17.28 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 41.6 p30 -91.71 -5.31 53.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.807 -1.183 . . . . 0.0 109.648 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.88 27.25 66.54 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -92.34 -0.01 57.41 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.182 -1.187 . . . . 0.0 109.696 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.35 15.72 78.91 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.416 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.4 p -141.28 162.77 34.7 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -1.187 . . . . 0.0 108.061 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.56 121.78 54.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 39.0 m-20 -90.35 154.0 20.01 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.781 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -47.51 -47.44 59.48 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.221 -0.924 . . . . 0.0 111.684 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.72 -37.55 86.58 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 CA-C-N 121.02 1.4 . . . . 0.0 110.905 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.31 -44.28 96.87 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.84 -45.07 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.363 0.602 . . . . 0.0 109.973 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.0 -39.37 78.09 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.052 0.93 . . . . 0.0 109.088 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -61.55 -45.51 93.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.85 -40.27 96.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 109.832 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.211 -0.93 . . . . 0.0 111.255 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.78 50.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.838 -1.164 . . . . 0.0 109.692 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 78' ' ' ASP . 26.7 tpt180 -58.43 -33.32 69.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.484 -0.76 . . . . 0.0 110.512 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' CD ' ' HZ2' ' B' ' 206' ' ' LYS . 87.5 tttt -57.93 -46.91 84.29 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 109.122 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.2 -37.97 78.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.931 . . . . 0.0 110.728 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.15 -6.28 48.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.851 -1.156 . . . . 0.0 110.051 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' ARG . 12.9 t0 -170.39 -178.95 2.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.982 -1.074 . . . . 0.0 109.704 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.25 82.61 2.02 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.497 0.665 . . . . 0.0 109.894 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.11 -0.99 57.89 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB2' ' HZ1' ' B' ' 210' ' ' LYS . 74.7 m -77.03 5.98 7.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -57.17 -36.02 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.87 -41.23 97.61 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.36 -37.28 84.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.305 -0.872 . . . . 0.0 109.121 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.67 -47.91 87.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -68.05 -39.77 82.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.663 -1.273 . . . . 0.0 110.454 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -70.96 -37.48 72.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.918 -1.114 . . . . 0.0 110.299 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.75 74.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.351 -0.843 . . . . 0.0 110.727 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.1 t80 -57.43 -39.52 76.43 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.943 -1.098 . . . . 0.0 109.032 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.56 -40.05 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.562 -0.712 . . . . 0.0 110.284 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.87 -40.84 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.206 -0.934 . . . . 0.0 109.502 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.79 -41.81 64.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -0.852 . . . . 0.0 110.104 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -81.19 82.67 7.02 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.029 -1.044 . . . . 0.0 110.221 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.78 -42.98 94.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.451 -0.78 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.9 p30 -68.96 -27.01 65.34 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.85 -1.156 . . . . 0.0 110.945 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.86 16.58 80.36 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.449 -1.357 . . . . 0.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.525 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 44.1 p-10 -72.12 -5.31 34.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.958 -1.319 . . . . 0.0 108.953 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 -0.04 82.52 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.664 -1.775 . . . . 0.0 108.664 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 49.8 m-85 -135.66 143.27 45.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.53 128.09 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.605 -1.309 . . . . 0.0 109.427 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 p -105.53 166.75 10.22 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.88 0.848 . . . . 0.0 110.639 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.21 91.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.826 -0.546 . . . . 0.0 111.833 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.16 83.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.366 -1.459 . . . . 0.0 108.483 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -61.67 -40.93 96.68 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 0.0 110.098 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -67.63 -41.31 84.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.425 -0.797 . . . . 0.0 111.369 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -64.09 -37.09 86.19 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.228 -1.545 . . . . 0.0 109.959 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -65.02 -60.6 2.85 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.87 . . . . 0.0 112.651 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.08 -40.19 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.012 -1.055 . . . . 0.0 109.508 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.8 mtp -62.48 -38.6 90.49 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.085 -1.009 . . . . 0.0 110.063 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -65.11 -40.23 94.24 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 110.832 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.36 -22.31 66.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.128 -0.982 . . . . 0.0 111.014 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.57 8.06 36.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.934 -1.104 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.13 14.02 82.28 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -104.42 136.08 44.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.54 -0.976 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -142.47 120.08 11.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.981 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.35 -176.74 2.97 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.5 p -101.2 162.78 12.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.202 -0.937 . . . . 0.0 109.209 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.2 -38.85 80.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.37 -40.12 95.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.076 -1.015 . . . . 0.0 109.418 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.09 -44.25 92.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.131 -0.981 . . . . 0.0 109.779 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.13 -37.87 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.97 -44.96 95.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.12 -38.11 89.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 109.679 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 ttt -58.79 -40.62 84.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.83 -44.01 89.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.261 -0.899 . . . . 0.0 109.252 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.73 -47.46 85.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.697 -1.252 . . . . 0.0 110.768 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.61 -39.91 73.49 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.995 -1.066 . . . . 0.0 112.021 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.75 -18.58 56.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 111.571 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -68.8 97.81 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.929 -1.107 . . . . 0.0 110.757 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.65 -46.51 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.9 p30 -72.16 -24.97 61.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 0.0 108.475 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.573 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 87.19 16.37 60.92 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 52.6 p-10 -80.56 -5.58 56.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.34 -1.094 . . . . 0.0 110.201 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.53 84.7 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.711 -1.233 . . . . 0.0 110.17 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -137.95 156.61 47.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 121.63 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.051 -1.031 . . . . 0.0 108.603 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.74 -177.07 3.26 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.966 0.888 . . . . 0.0 110.309 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.0 m-85 -60.68 -40.49 92.37 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.94 -50.81 72.29 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.342 -0.849 . . . . 0.0 109.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -68.08 -41.08 82.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.251 -0.906 . . . . 0.0 109.295 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.853 -0.529 . . . . 0.0 111.2 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.4 -39.48 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.288 -1.508 . . . . 0.0 108.664 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.05 -38.64 86.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.618 -0.676 . . . . 0.0 112.361 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.0 mmt -65.52 -43.71 89.2 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.497 -1.377 . . . . 0.0 110.664 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -38.92 70.15 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.995 -1.066 . . . . 0.0 111.333 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.19 50.49 0.76 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.741 -1.224 . . . . 0.0 109.228 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.11 143.36 35.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.373 -0.829 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.255 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.624 ' H3 ' ' HG3' ' A' ' 41' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.61 ' H ' ' HB3' ' B' ' 204' ' ' PHE . 25.3 mmt -143.39 157.53 44.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 42.6 p-10 -55.82 -40.35 72.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.537 -1.352 . . . . 0.0 109.031 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.575 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.7 p -78.78 -26.44 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.042 -1.036 . . . . 0.0 110.42 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.61 ' HB3' ' H ' ' B' ' 201' ' ' MET . 0.0 OUTLIER -49.3 -30.13 6.99 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.855 -1.153 . . . . 0.0 110.634 -178.702 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.534 ' N ' ' CD1' ' B' ' 204' ' ' PHE . 24.4 ptp -66.18 -27.17 67.8 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.585 -1.322 . . . . 0.0 108.647 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.451 ' HZ2' ' CD ' ' A' ' 75' ' ' LYS . 6.1 tmtt? -75.9 -30.36 58.76 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.41 -17.98 41.76 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.86 -44.07 49.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.145 -1.209 . . . . 0.0 108.867 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 47.9 t -62.38 -44.77 95.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.62 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.447 ' HZ1' ' HB2' ' A' ' 81' ' ' SER . 98.1 mttt -62.33 -42.1 99.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.981 -1.074 . . . . 0.0 110.412 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -72.11 -21.02 61.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.115 -0.99 . . . . 0.0 109.418 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.716 ' O ' HG23 ' B' ' 216' ' ' VAL . 88.0 tttt -97.76 -73.97 0.59 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.42 -40.71 85.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 110.172 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.78 -43.28 99.17 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.42 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -21.44 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.695 -1.473 . . . . 0.0 110.48 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 212' ' ' LYS . 51.6 t -64.62 -36.76 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.159 -0.963 . . . . 0.0 110.821 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.49 71.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.152 -0.967 . . . . 0.0 111.098 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.65 85.81 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.573 -1.329 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -145.74 -86.25 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.426 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.934 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -86.46 -4.25 59.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -130.07 146.05 51.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.663 -0.648 . . . . 0.0 109.26 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 4' ' ' LEU . 19.0 tp -90.9 142.85 27.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.354 -0.841 . . . . 0.0 108.88 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -108.58 155.75 20.31 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.707 0.765 . . . . 0.0 110.345 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -37.24 84.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.706 -0.621 . . . . 0.0 109.633 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.21 -33.0 74.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.929 . . . . 0.0 109.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -58.33 -39.57 79.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.79 -37.57 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.776 -1.203 . . . . 0.0 108.614 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.11 75.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.952 -1.092 . . . . 0.0 110.481 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.67 -44.61 96.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 110.111 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.66 -13.51 45.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 108.885 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.26 -46.84 87.02 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.883 -1.136 . . . . 0.0 109.48 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -59.81 -47.18 86.74 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.227 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.34 86.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.309 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.44 -46.74 83.24 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.107 -0.996 . . . . 0.0 110.886 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -60.01 -39.42 85.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.038 -1.039 . . . . 0.0 111.238 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -42.04 70.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.729 -1.232 . . . . 0.0 110.489 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.09 -39.53 86.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.597 -1.315 . . . . 0.0 108.98 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 49.9 t0 -85.03 81.27 8.96 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.686 -1.259 . . . . 0.0 109.675 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -64.61 -22.89 67.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.938 . . . . 0.0 109.925 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.39 -30.74 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.102 -0.999 . . . . 0.0 110.465 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.68 5.78 86.49 Favored Glycine 0 N--CA 1.496 2.661 0 O-C-N 120.334 -1.478 . . . . 0.0 110.253 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -87.48 2.2 51.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.26 -1.141 . . . . 0.0 109.824 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.86 7.45 88.56 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.383 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 66.7 p -134.98 148.8 50.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.184 -1.186 . . . . 0.0 108.873 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.6 mt -101.23 130.02 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.8 p -107.31 157.9 17.57 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.437 0.637 . . . . 0.0 109.84 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -56.01 -34.54 65.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.31 -40.52 90.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.041 -1.037 . . . . 0.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 37.0 mt-10 -66.06 -41.15 91.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.699 . . . . 0.0 111.976 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -56.39 6.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.079 . . . . 0.0 110.678 -177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.55 93.9 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.289 -1.434 . . . . 0.0 110.282 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.0 m -59.22 -46.66 87.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.672 -1.487 . . . . 0.0 108.976 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.01 -40.12 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.767 -1.208 . . . . 0.0 110.169 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.5 ttp -64.78 -35.26 80.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.641 -1.287 . . . . 0.0 109.583 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -59.27 -29.19 67.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.159 -0.963 . . . . 0.0 109.403 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -58.01 -34.71 70.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.219 -0.926 . . . . 0.0 108.777 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 21.82 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 108.926 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 41.05 98.17 Favored Glycine 0 N--CA 1.483 1.803 0 O-C-N 120.976 -1.078 . . . . 0.0 110.669 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' OE1' ' SD ' ' B' ' 201' ' ' MET . 35.6 mt-30 -119.96 157.13 29.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.601 -0.94 . . . . 0.0 109.373 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -142.27 74.27 20.81 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.512 -0.742 . . . . 0.0 109.823 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.24 162.37 34.01 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.652 2.234 . . . . 0.0 112.912 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -102.07 170.01 8.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.661 0.743 . . . . 0.0 110.113 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -60.1 -43.64 95.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.239 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.45 94.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.072 -1.017 . . . . 0.0 109.96 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.64 ' OE2' ' H2 ' ' B' ' 200' ' ' ACE . 82.1 tt0 -63.62 -46.72 84.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.704 -1.247 . . . . 0.0 109.957 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.12 -39.71 86.7 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.323 -0.86 . . . . 0.0 110.342 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' NE2' ' OD1' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -64.99 -41.78 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.0 -1.062 . . . . 0.0 108.437 -179.388 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -67.14 -42.33 84.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.494 -0.754 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 6.8 mtm -60.94 -50.28 74.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.056 -1.027 . . . . 0.0 110.654 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -33.0 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.934 -1.104 . . . . 0.0 109.985 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.524 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -58.27 -26.49 63.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.001 -1.062 . . . . 0.0 110.34 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.19 -21.83 65.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.078 -1.014 . . . . 0.0 110.615 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -134.26 25.95 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.277 -0.889 . . . . 0.0 111.719 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -91.3 104.12 16.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.727 -1.233 . . . . 0.0 109.104 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.64 -24.04 18.04 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.128 -0.982 . . . . 0.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 30.5 p30 -92.19 -8.22 46.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.864 -1.148 . . . . 0.0 109.223 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.05 24.94 69.06 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p-10 -95.28 0.95 54.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.31 -1.112 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.98 22.04 75.65 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.8 p -140.73 161.24 38.24 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.12 125.07 61.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.831 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -99.89 160.19 14.5 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.609 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -53.01 11.96 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.571 -0.706 . . . . 0.0 111.631 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.63 -37.47 68.99 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 CA-C-N 120.216 1.113 . . . . 0.0 111.111 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.33 -45.17 92.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.2 -48.02 81.85 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.383 0.611 . . . . 0.0 111.71 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.72 -38.61 85.65 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 121.831 0.824 . . . . 0.0 109.545 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.5 m -62.26 -43.23 99.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.0 ttp -63.4 -39.79 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.158 -0.963 . . . . 0.0 109.563 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -60.27 -42.35 95.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.832 -1.168 . . . . 0.0 110.445 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.8 -23.63 45.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.814 -1.179 . . . . 0.0 108.785 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.64 -38.33 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.61 -0.681 . . . . 0.0 109.936 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.28 -41.17 88.27 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.7 mtm -62.22 -36.95 83.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.518 -0.739 . . . . 0.0 109.438 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.83 -2.59 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.851 -1.155 . . . . 0.0 110.193 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 53.62 43.9 30.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.997 -1.064 . . . . 0.0 110.069 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -93.74 91.38 6.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.31 -0.869 . . . . 0.0 108.737 179.656 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.1 t0 75.81 -34.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.78 -1.2 . . . . 0.0 108.242 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 79' ' ' THR . 90.7 p -57.84 -21.19 41.29 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.1 pp20? -73.75 -35.92 65.08 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.705 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 88.5 tt0 -52.18 -29.8 24.01 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.607 -0.683 . . . . 0.0 109.95 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' B' ' 203' ' ' VAL . 26.8 mp0 -62.38 -15.47 48.93 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.38 -0.825 . . . . 0.0 109.506 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.163 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -67.02 -37.6 84.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.73 -1.231 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.25 -39.69 93.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.766 -1.209 . . . . 0.0 109.743 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.84 34.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.125 -0.984 . . . . 0.0 109.596 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 26.8 t80 -59.33 -40.53 86.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.063 -1.023 . . . . 0.0 109.005 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.69 -39.92 95.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.604 -0.685 . . . . 0.0 110.434 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -74.02 -41.56 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.142 -0.974 . . . . 0.0 109.639 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.76 -40.78 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.07 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -83.08 84.77 7.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.993 -1.067 . . . . 0.0 110.462 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.25 -39.76 93.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.656 -0.653 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.66 -29.59 68.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.98 -1.075 . . . . 0.0 110.832 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.09 13.45 81.08 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.491 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 28.5 p-10 -71.33 -5.54 33.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.04 -1.271 . . . . 0.0 109.297 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.06 -1.81 80.79 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 108.439 -1.864 . . . . 0.0 108.439 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 65.7 m-85 -135.06 143.8 46.89 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.93 130.49 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.894 -1.129 . . . . 0.0 109.947 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -106.87 165.1 11.58 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.123 0.964 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.56 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.897 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.8 83.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.353 -1.467 . . . . 0.0 108.732 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 73.5 mt-10 -61.22 -40.18 93.04 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.248 -0.907 . . . . 0.0 110.196 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -66.92 -38.08 85.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 111.461 -178.454 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -65.13 -35.75 82.09 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.163 -1.586 . . . . 0.0 110.252 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.21 -62.12 1.82 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.261 -0.899 . . . . 0.0 112.864 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.65 -39.97 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.013 -1.054 . . . . 0.0 109.069 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.463 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -63.16 -39.3 94.27 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.996 -1.065 . . . . 0.0 110.18 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -66.7 -40.54 88.52 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.139 -0.976 . . . . 0.0 111.478 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.0 -21.76 66.64 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.028 -1.045 . . . . 0.0 111.501 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -92.67 10.43 30.65 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.978 -1.076 . . . . 0.0 110.07 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.16 12.79 81.94 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -102.37 127.45 49.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.486 -1.008 . . . . 0.0 108.994 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -136.35 119.45 16.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.484 -0.76 . . . . 0.0 109.229 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -116.35 -177.12 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -101.25 161.86 13.31 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 109.24 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.8 p-10 -58.39 -37.46 75.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 110.253 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 70.7 mm-40 -62.97 -40.38 97.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 109.17 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.86 -43.75 91.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 109.675 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -72.61 -35.4 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.74 -43.21 94.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 109.291 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.91 -37.63 88.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.238 -0.914 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 mtt -53.05 -39.89 63.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.035 -1.041 . . . . 0.0 109.12 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -67.04 -41.66 87.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.405 -0.809 . . . . 0.0 109.825 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.13 -47.25 85.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.805 -1.185 . . . . 0.0 110.596 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.07 -41.41 95.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.125 -0.985 . . . . 0.0 111.925 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.88 -7.95 56.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.837 -1.164 . . . . 0.0 111.677 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.1 88.79 4.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.471 -1.393 . . . . 0.0 110.203 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.39 -44.73 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.621 -0.674 . . . . 0.0 111.412 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.9 p30 -78.1 -23.38 47.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.049 . . . . 0.0 109.125 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.57 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.91 23.89 58.85 Favored Glycine 0 N--CA 1.482 1.756 0 C-N-CA 119.532 -1.318 . . . . 0.0 109.824 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 44.5 p30 -78.12 -11.19 59.9 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.378 -1.072 . . . . 0.0 110.417 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.85 -11.18 71.3 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.0 mp0 -130.83 162.68 29.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.28 -1.13 . . . . 0.0 108.604 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -98.29 123.8 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.2 -178.86 3.72 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.893 0.854 . . . . 0.0 110.56 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.1 m-85 -59.42 -39.86 84.82 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.63 -50.54 73.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.449 -0.782 . . . . 0.0 109.839 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.71 -40.76 84.27 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.099 -1.001 . . . . 0.0 109.245 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -63.5 -47.22 82.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.8 -0.563 . . . . 0.0 110.987 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.53 -42.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.469 0 O-C-N 119.864 -1.772 . . . . 0.0 107.971 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -62.9 -39.78 95.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.423 -0.798 . . . . 0.0 110.244 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 ttt -61.2 -46.75 89.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -0.987 . . . . 0.0 110.47 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 147' ' ' ALA . 23.8 mtp -71.37 -38.6 71.53 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.37 56.27 0.24 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.594 -1.316 . . . . 0.0 109.558 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -106.64 141.04 38.55 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.198 -0.938 . . . . 0.0 109.5 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.345 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.64 ' H2 ' ' OE2' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.498 ' SD ' ' OE1' ' A' ' 41' ' ' GLN . 18.6 mmt -101.2 20.7 15.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.757 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.568 ' N ' ' SD ' ' A' ' 51' ' ' MET . 64.6 t0 -51.24 -32.55 24.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.227 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 84' ' ' GLU . 5.5 p -67.48 -27.43 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.233 -0.917 . . . . 0.0 110.268 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.37 -49.73 76.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.538 -1.351 . . . . 0.0 109.738 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 98.6 mtp -68.39 -41.02 81.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.861 -1.149 . . . . 0.0 109.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.87 -22.77 55.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.888 . . . . 0.0 110.422 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -76.26 -2.29 72.72 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 8.0 mt -55.69 -50.86 69.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.124 -1.221 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.475 ' O ' ' N ' ' B' ' 213' ' ' GLU . 42.1 t -65.01 -45.25 86.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.868 -1.145 . . . . 0.0 110.332 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -61.99 -40.96 97.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.805 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -72.67 -21.17 61.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.58 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.866 ' O ' HG23 ' B' ' 216' ' ' VAL . 88.0 tttt -106.97 -71.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.779 . . . . 0.0 109.889 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 209' ' ' SER . 88.7 tt0 -62.38 -46.32 89.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.09 -1.006 . . . . 0.0 110.449 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.92 98.25 Favored Glycine 0 N--CA 1.498 2.8 0 C-N-CA 119.649 -1.263 . . . . 0.0 110.563 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -22.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.649 -1.5 . . . . 0.0 110.434 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 212' ' ' LYS . 54.3 t -61.45 -41.15 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.857 -1.152 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -69.87 29.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.068 -1.02 . . . . 0.0 109.697 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.77 -40.15 91.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.118 -0.989 . . . . 0.0 109.454 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -176.22 110.77 0.1 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.24 -11.25 60.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.0 109.256 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -118.57 128.19 54.32 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.22 148.12 52.44 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 p -107.33 156.8 18.51 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.933 0.873 . . . . 0.0 111.36 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.67 -35.72 76.94 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.282 0.563 . . . . 0.0 109.756 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.91 -39.7 86.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 0.0 109.952 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -63.03 -42.51 99.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.063 . . . . 0.0 110.216 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.07 -45.8 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.661 -1.274 . . . . 0.0 109.925 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.19 -43.3 99.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.932 -1.105 . . . . 0.0 110.775 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -87.9 -27.19 22.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.119 . . . . 0.0 110.658 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.52 -44.98 95.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.967 -1.083 . . . . 0.0 109.238 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.42 -46.88 88.44 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.862 . . . . 0.0 109.031 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -34.58 73.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 80.0 t80 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.169 -0.957 . . . . 0.0 111.537 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -59.67 -36.7 76.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.896 -1.127 . . . . 0.0 111.116 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -40.95 72.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.707 -1.246 . . . . 0.0 110.127 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -66.09 -40.01 90.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.781 -1.199 . . . . 0.0 109.314 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 26' ' ' THR . 52.7 t0 -84.64 80.99 9.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.621 -1.3 . . . . 0.0 109.712 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.08 -20.86 64.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 109.177 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -63.14 -27.52 69.43 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.581 -0.699 . . . . 0.0 109.878 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 9.28 68.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -92.77 4.02 54.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -1.165 . . . . 0.0 109.758 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 10.53 86.21 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.9 p -135.87 146.85 47.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.354 -1.086 . . . . 0.0 108.844 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -104.33 129.45 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.783 0.801 . . . . 0.0 108.997 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -105.58 157.37 17.44 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -54.64 -36.19 64.29 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.42 -40.7 89.7 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.051 -1.031 . . . . 0.0 110.057 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.8 -42.03 91.18 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.274 -0.891 . . . . 0.0 111.186 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD21 ' SD ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -70.39 -55.06 9.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -178.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.94 -40.42 96.87 Favored Glycine 0 N--CA 1.486 1.974 0 C-N-CA 119.264 -1.446 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -58.78 -46.51 87.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.667 -1.49 . . . . 0.0 109.2 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.3 -39.96 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.671 -1.268 . . . . 0.0 109.887 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 ttp -65.14 -37.59 87.91 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.598 -1.314 . . . . 0.0 109.205 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.48 -34.39 72.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.0 109.092 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.632 ' C ' ' H ' ' A' ' 40' ' ' GLY . 39.9 t -49.82 -34.89 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.196 -0.94 . . . . 0.0 108.775 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 20.54 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.632 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.32 46.55 94.08 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' B' ' 201' ' ' MET . 96.7 mt-30 -119.21 166.16 13.31 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.998 0.904 . . . . 0.0 110.562 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -140.36 76.97 24.9 Favored Pre-proline 0 C--N 1.299 -1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -74.77 159.86 41.57 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.83 2.353 . . . . 0.0 112.736 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.9 p -106.93 164.78 11.84 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.827 0.822 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.49 -42.81 92.97 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.234 0.54 . . . . 0.0 110.151 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.76 93.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.79 -46.77 74.21 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 110.172 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.88 -40.4 87.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.191 -0.943 . . . . 0.0 110.176 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -63.81 -44.35 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.902 -1.124 . . . . 0.0 108.841 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.53 -39.77 92.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.491 -0.756 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.0 -58.67 6.54 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 110.961 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -37.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.466 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -58.49 -37.97 76.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.374 -0.829 . . . . 0.0 111.279 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' B' ' 206' ' ' LYS . 8.5 pt-20 -59.95 -16.72 32.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.919 -1.113 . . . . 0.0 111.154 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -134.98 25.11 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.116 -0.99 . . . . 0.0 111.846 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.5 t0 -87.33 99.78 12.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.588 -1.32 . . . . 0.0 108.802 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.23 -24.59 17.42 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.335 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.532 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 31.4 p30 -89.18 -11.11 44.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.921 -1.112 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 65.16 24.22 70.28 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 p-10 -95.77 0.87 52.87 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.361 -1.082 . . . . 0.0 110.004 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.27 21.3 75.75 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.513 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.5 p -141.31 162.25 35.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.125 -1.22 . . . . 0.0 107.974 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.6 mt -102.84 122.79 55.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.316 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 m-20 -92.47 157.76 16.39 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -49.83 -46.46 80.6 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 120.956 -1.09 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.1 -39.44 69.59 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 CA-C-N 120.867 1.345 . . . . 0.0 111.23 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.32 -43.9 97.76 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 35.2 t80 -61.58 -44.54 96.83 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.29 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -58.73 -39.98 82.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.988 0.899 . . . . 0.0 109.682 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -64.63 -42.78 95.25 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.854 -0.529 . . . . 0.0 109.681 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.04 -41.65 98.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.126 -0.983 . . . . 0.0 108.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.26 -41.88 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 110.645 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.32 -26.44 52.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.77 -1.206 . . . . 0.0 108.584 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.44 -43.49 96.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.384 -0.823 . . . . 0.0 109.515 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 ttp -60.19 -44.78 94.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.614 -0.679 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 87.3 tttt -61.73 -38.8 89.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.015 . . . . 0.0 109.267 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 6.9 t70 83.71 61.57 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.301 0.572 . . . . 0.0 109.792 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -73.57 0.68 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.328 -0.857 . . . . 0.0 109.237 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 81' ' ' SER . 55.4 p-10 -73.96 -17.43 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.205 . . . . 0.0 108.682 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.7 m -53.03 -28.08 22.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.618 -0.676 . . . . 0.0 109.532 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.5 -42.26 91.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.059 . . . . 0.0 108.35 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.39 -38.09 88.95 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.723 -0.611 . . . . 0.0 109.69 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' HG23 ' B' ' 203' ' ' VAL . 77.7 mm-40 -72.7 -18.34 61.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.389 -0.819 . . . . 0.0 110.519 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -61.28 -45.25 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.965 -1.084 . . . . 0.0 109.291 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -65.89 -39.57 90.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.285 . . . . 0.0 110.978 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' OE2' ' OD1' ' B' ' 202' ' ' ASP . 86.3 tt0 -67.82 -37.12 81.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.005 -1.059 . . . . 0.0 110.586 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.07 72.67 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.244 -0.91 . . . . 0.0 110.381 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 34.4 t80 -58.05 -38.16 75.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.833 -1.167 . . . . 0.0 109.043 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -63.65 -37.24 86.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.542 -0.724 . . . . 0.0 109.58 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.41 -41.61 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.025 -1.047 . . . . 0.0 109.518 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -71.26 -41.54 69.93 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.564 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -84.6 87.26 7.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.01 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 64.0 tttm -66.41 -39.66 89.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.743 -0.598 . . . . 0.0 111.071 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.31 -29.38 68.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.997 -1.064 . . . . 0.0 110.92 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.28 13.4 82.84 Favored Glycine 0 N--CA 1.488 2.135 0 C-N-CA 119.42 -1.372 . . . . 0.0 109.834 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 33.0 p-10 -73.09 -5.54 39.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.955 -1.321 . . . . 0.0 109.467 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.08 85.68 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 43.4 m-85 -133.38 136.94 45.62 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.1 mt -95.06 124.19 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 110.514 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.8 p -95.09 167.51 11.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.272 -0.892 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.71 96.6 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.76 -0.587 . . . . 0.0 112.129 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.3 90.55 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.409 -1.432 . . . . 0.0 109.289 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 43.3 tt0 -63.56 -42.76 98.33 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.603 -0.686 . . . . 0.0 111.864 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.26 -36.61 84.67 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.961 -1.087 . . . . 0.0 110.447 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -64.43 -38.91 92.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.86 . . . . 0.0 110.803 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -57.48 -58.56 7.74 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.271 -0.893 . . . . 0.0 112.644 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.57 -44.0 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.061 -1.025 . . . . 0.0 109.33 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 113' ' ' GLY . 97.8 mtp -66.11 -38.83 89.17 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.695 -1.253 . . . . 0.0 110.553 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -65.57 -50.09 66.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.996 -1.065 . . . . 0.0 110.299 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.49 -38.64 68.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.109 -0.994 . . . . 0.0 111.663 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.17 9.94 25.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.62 -0.675 . . . . 0.0 111.632 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -150.69 -96.03 0.14 Allowed Glycine 0 N--CA 1.489 2.217 0 C-N-CA 119.151 -1.5 . . . . 0.0 109.739 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 109' ' ' MET . 25.1 pt-20 -172.79 148.92 1.92 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.564 -1.551 . . . . 0.0 109.032 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -73.44 133.32 43.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.005 -1.059 . . . . 0.0 109.586 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -107.78 -167.99 1.32 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -100.83 158.99 15.56 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.857 -1.152 . . . . 0.0 108.883 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.99 -39.09 84.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.291 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -62.14 -40.83 97.27 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.911 -1.118 . . . . 0.0 109.048 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.58 -44.72 95.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.287 -0.883 . . . . 0.0 109.848 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.66 -36.21 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 109.6 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -48.71 80.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.015 -1.053 . . . . 0.0 110.455 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.34 -38.35 89.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.14 -43.11 92.0 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.07 -1.019 . . . . 0.0 109.339 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.03 -38.69 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.254 -0.904 . . . . 0.0 109.078 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -59.5 -48.52 81.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.148 -0.97 . . . . 0.0 110.619 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.99 -43.63 82.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.162 -0.961 . . . . 0.0 112.085 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.37 60.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.204 -0.935 . . . . 0.0 111.515 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -68.38 98.78 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.829 -1.169 . . . . 0.0 110.233 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.77 -45.16 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.615 -0.678 . . . . 0.0 111.18 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p-10 -74.73 -25.38 59.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.066 -1.022 . . . . 0.0 108.666 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.17 19.33 59.19 Favored Glycine 0 N--CA 1.481 1.67 0 C-N-CA 119.444 -1.36 . . . . 0.0 109.908 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.2 p-10 -81.51 -4.98 57.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.241 -1.153 . . . . 0.0 110.072 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 -0.54 81.09 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -137.64 152.71 49.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.362 -1.081 . . . . 0.0 108.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 64.0 t -93.7 122.81 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.924 -1.11 . . . . 0.0 108.373 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.582 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.07 -179.28 3.89 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.748 0.785 . . . . 0.0 110.067 -177.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.4 m-85 -60.11 -38.87 84.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -59.87 -50.73 72.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.382 -0.824 . . . . 0.0 109.925 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -67.57 -39.68 84.89 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.064 0.935 . . . . 0.0 108.816 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -65.19 -45.22 85.73 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.288 -0.883 . . . . 0.0 110.89 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.47 -41.62 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.621 0 O-C-N 119.846 -1.784 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.5 -38.56 87.78 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.271 -0.893 . . . . 0.0 111.429 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.54 ' HE3' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.3 -49.55 63.77 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.942 -1.099 . . . . 0.0 110.596 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 mtp -67.73 -39.42 84.27 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 111.038 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 54.47 0.87 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.763 -1.211 . . . . 0.0 109.232 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.35 145.34 32.98 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.36 -0.838 . . . . 0.0 109.783 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.239 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.793 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.209 -1.033 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' B' ' 201' ' ' MET . 3.6 mpp? -63.57 -35.28 79.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.322 -0.861 . . . . 0.0 109.908 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 44.2 p-10 -49.7 -28.85 6.55 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.986 -1.071 . . . . 0.0 109.545 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.793 HG12 ' O ' ' B' ' 200' ' ' ACE . 6.2 p -64.53 -7.34 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.0 109.783 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -55.15 -49.37 72.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.818 -1.176 . . . . 0.0 110.38 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.612 ' SD ' HD21 ' A' ' 32' ' ' LEU . 99.3 mtp -67.26 -41.31 85.78 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.618 -1.301 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.425 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 68.6 mttm -71.55 -41.28 69.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.901 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -76.59 -2.3 74.75 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.595 HD23 ' O ' ' B' ' 208' ' ' LEU . 1.8 tt -45.8 -41.9 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.112 -1.228 . . . . 0.0 109.857 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 86.4 p -85.63 -14.63 45.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.036 -1.04 . . . . 0.0 110.434 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.36 0.62 21.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.366 -0.834 . . . . 0.0 110.043 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -61.32 -37.86 84.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.956 -1.09 . . . . 0.0 109.751 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.475 ' O ' HG12 ' B' ' 215' ' ' VAL . 62.4 pttt -165.27 -23.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.748 -1.22 . . . . 0.0 109.675 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.9 -39.18 93.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 110.087 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 216' ' ' VAL . . . -59.32 -39.09 94.25 Favored Glycine 0 N--CA 1.499 2.847 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.394 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.475 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.8 OUTLIER -51.71 -14.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.71 -1.465 . . . . 0.0 109.652 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.411 ' N ' ' C ' ' B' ' 214' ' ' GLY . 52.6 t -61.86 -37.78 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.482 -0.761 . . . . 0.0 110.713 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.86 79.42 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.956 -1.09 . . . . 0.0 111.275 -177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.05 91.77 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.56 -1.337 . . . . 0.0 109.394 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -145.48 -58.19 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.35 -0.843 . . . . 0.0 109.473 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.792 -1.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.85 -9.04 59.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.12 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -131.57 150.08 52.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -133.15 150.18 52.04 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 ' H ' HD13 ' A' ' 4' ' ' LEU . 39.3 p -105.06 156.91 17.62 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.82 0.819 . . . . 0.0 110.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.63 -38.36 87.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.72 -0.613 . . . . 0.0 110.998 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.69 -40.99 96.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.914 -1.116 . . . . 0.0 110.448 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -62.98 -44.86 94.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.012 . . . . 0.0 111.29 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.13 -45.06 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.506 -1.371 . . . . 0.0 109.68 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.01 93.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.854 -1.154 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.06 -44.31 96.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.949 -1.094 . . . . 0.0 111.294 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CG ' ' SD ' ' A' ' 72' ' ' MET . 10.7 m-85 -88.19 -30.94 19.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.876 -1.14 . . . . 0.0 110.899 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.44 -44.69 95.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.908 -1.12 . . . . 0.0 109.29 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.41 -47.86 84.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.133 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.47 74.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.395 -0.816 . . . . 0.0 110.057 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.61 -46.26 84.32 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.112 -0.992 . . . . 0.0 111.633 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -59.43 -36.94 76.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.782 -1.199 . . . . 0.0 110.927 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -41.3 78.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.718 -1.239 . . . . 0.0 109.897 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -66.25 -40.32 90.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.187 . . . . 0.0 109.057 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.8 t0 -84.79 81.79 8.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.725 -1.234 . . . . 0.0 109.755 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.11 -23.83 67.47 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.057 -1.027 . . . . 0.0 110.269 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.052 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.14 10.53 78.33 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 120.541 -1.349 . . . . 0.0 110.26 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -91.63 3.18 55.64 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.35 -1.088 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.03 8.33 87.92 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 69.8 p -135.16 148.7 49.79 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.333 -1.098 . . . . 0.0 108.905 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -104.44 130.83 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.1 p -108.67 158.54 17.51 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.9 p -54.96 -35.77 64.62 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.228 -0.92 . . . . 0.0 110.209 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.0 -41.55 95.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.767 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.85 -41.71 91.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.432 -0.793 . . . . 0.0 111.391 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -54.52 12.65 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.041 -1.037 . . . . 0.0 110.125 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.07 97.77 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.237 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.1 m -59.56 -46.08 89.96 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.901 -1.353 . . . . 0.0 109.827 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.43 -33.21 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.763 -1.211 . . . . 0.0 109.165 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 tpp -61.51 -32.82 72.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.969 -1.082 . . . . 0.0 109.783 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.43 -34.18 72.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.165 -0.96 . . . . 0.0 110.039 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -59.22 -37.46 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.16 -0.963 . . . . 0.0 108.706 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.8 11.38 0.14 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.403 -0.811 . . . . 0.0 108.818 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.36 36.87 93.22 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.569 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -114.36 159.36 20.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.479 -1.013 . . . . 0.0 109.632 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -141.53 69.9 26.03 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.56 159.99 47.64 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.471 2.114 . . . . 0.0 112.351 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.1 p -101.01 168.51 9.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.381 -0.824 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -59.63 -44.37 93.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.778 -0.576 . . . . 0.0 110.082 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.78 94.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 0.0 109.684 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.06 -46.32 81.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.908 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.64 -39.27 91.27 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.141 -0.974 . . . . 0.0 109.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -61.27 -44.8 96.65 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.98 -40.0 94.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.751 . . . . 0.0 109.763 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.416 ' HE2' ' H ' ' B' ' 201' ' ' MET . 57.0 mtt -62.53 -51.55 66.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.708 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.34 -38.0 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.17 -0.956 . . . . 0.0 110.7 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -57.78 -37.66 74.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.604 -0.685 . . . . 0.0 110.836 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 1.2 pp20? -61.3 -13.88 22.49 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.139 -0.976 . . . . 0.0 111.366 -178.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -135.86 25.78 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 121.07 -1.019 . . . . 0.0 111.701 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -90.66 103.45 16.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.495 -1.378 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.07 -25.61 17.11 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.582 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -91.75 -7.2 50.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.792 -1.192 . . . . 0.0 109.136 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 61.72 25.32 65.41 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -94.13 0.59 55.92 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -1.119 . . . . 0.0 109.895 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.02 20.81 76.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 p -141.4 162.58 35.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.188 -1.183 . . . . 0.0 107.945 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -106.17 123.19 60.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.571 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.53 160.1 14.67 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.064 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -49.8 -45.29 79.8 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 111.254 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 -38.49 46.89 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 120.838 1.335 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.82 -45.09 94.22 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 30.4 t80 -61.58 -45.68 93.07 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.538 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.6 -39.92 89.9 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.18 0.991 . . . . 0.0 109.265 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -61.4 -44.17 97.61 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.24 -37.93 87.29 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.527 ' SD ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 mtp -60.89 -41.45 96.08 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.65 54.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.984 -1.073 . . . . 0.0 108.76 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 42.1 ttm180 -60.94 -38.24 85.12 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.421 -0.799 . . . . 0.0 110.528 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 77' ' ' LYS . 63.4 tttm -58.68 -47.42 84.59 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.172 -0.955 . . . . 0.0 110.298 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ptm -65.78 7.24 0.27 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.745 -1.222 . . . . 0.0 109.547 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 75' ' ' LYS . 67.5 mttm -115.09 -122.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -163.27 95.01 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.261 -1.524 . . . . 0.0 110.205 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -148.81 -73.13 0.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.143 -0.973 . . . . 0.0 108.56 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.57 -1.78 58.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -49.25 -42.61 41.25 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.87 -40.73 87.93 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.853 -1.154 . . . . 0.0 109.586 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.22 -44.43 83.84 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.546 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' CB ' HG11 ' B' ' 203' ' ' VAL . 9.4 pt-20 -72.15 -36.98 69.49 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.822 -1.174 . . . . 0.0 109.685 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 145' ' ' MET . 77.3 mt -67.48 -44.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.068 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.76 -38.79 80.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.109 -0.994 . . . . 0.0 110.714 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -65.36 -38.8 91.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.005 -1.059 . . . . 0.0 109.91 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.4 72.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.447 -0.783 . . . . 0.0 110.484 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.637 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.9 t80 -58.73 -38.97 79.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.986 -1.071 . . . . 0.0 108.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -62.54 -39.83 94.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.565 -0.71 . . . . 0.0 110.523 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.42 -40.04 24.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.051 -1.031 . . . . 0.0 109.453 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.24 -40.49 81.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -78.9 83.2 5.03 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.099 -1.001 . . . . 0.0 109.996 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -71.08 -42.19 69.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.417 -0.802 . . . . 0.0 111.301 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 14.0 p-10 -68.4 -27.58 66.34 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.821 -1.174 . . . . 0.0 110.727 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.49 80.38 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.545 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.8 p-10 -71.55 -4.2 25.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.775 -1.427 . . . . 0.0 108.638 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.9 -1.32 86.81 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.7 m-85 -135.34 140.19 44.88 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -89.58 118.33 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.303 -1.498 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.447 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 89.1 p -94.0 170.55 9.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 110.937 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.71 86.41 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.6 -0.688 . . . . 0.0 112.421 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.14 95.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.584 -1.322 . . . . 0.0 111.002 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 101' ' ' SER . 10.6 pt-20 -69.9 -27.1 64.52 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 111.883 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.9 tt -69.84 -38.02 76.35 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.765 -1.209 . . . . 0.0 110.994 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.07 -35.34 79.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.052 -1.03 . . . . 0.0 111.268 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.59 -56.16 25.71 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.18 -0.95 . . . . 0.0 112.813 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.38 -39.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.057 . . . . 0.0 108.539 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.578 ' SD ' HD23 ' A' ' 105' ' ' LEU . 95.2 mtp -62.23 -38.25 88.48 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.964 -1.085 . . . . 0.0 110.26 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.9 m -66.09 -40.01 90.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.217 -0.927 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.19 -22.6 66.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.896 -1.127 . . . . 0.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.49 10.08 33.93 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.095 -1.003 . . . . 0.0 109.791 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.2 18.69 80.02 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.11 140.9 40.63 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.492 -1.005 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -154.26 130.22 10.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.755 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -118.49 -173.04 2.39 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.2 p -98.27 162.61 13.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.084 -1.01 . . . . 0.0 109.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.15 -39.48 86.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.051 -1.03 . . . . 0.0 110.297 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.65 -40.07 95.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.046 . . . . 0.0 109.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -43.2 95.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.874 . . . . 0.0 109.686 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.92 -37.97 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.7 -46.3 90.27 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.101 -0.999 . . . . 0.0 110.055 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.49 -38.58 91.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.096 -1.003 . . . . 0.0 110.467 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.77 -39.63 89.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 0.0 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -70.08 -41.54 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 120.965 -1.084 . . . . 0.0 109.45 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.41 -47.77 84.27 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.158 -0.964 . . . . 0.0 110.722 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.52 -40.63 69.99 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.916 -1.115 . . . . 0.0 111.902 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.44 61.86 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.834 -1.166 . . . . 0.0 110.612 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -71.22 106.06 3.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.81 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -45.94 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.683 -0.636 . . . . 0.0 111.219 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p30 -75.69 -23.69 56.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 108.809 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 84.18 19.89 60.01 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -75.64 -10.36 59.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.372 -1.075 . . . . 0.0 109.938 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.41 -11.05 71.09 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.7 mp0 -130.77 159.76 36.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.256 -1.143 . . . . 0.0 108.469 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 123.2 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.52 -178.0 3.47 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.874 0.845 . . . . 0.0 110.603 -177.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.637 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 m-85 -60.62 -40.31 91.43 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.36 -49.28 78.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.252 -0.905 . . . . 0.0 109.768 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.09 -39.85 78.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.439 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -41.96 77.13 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.799 -0.563 . . . . 0.0 111.981 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.6 t -65.47 -40.05 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 120.054 -1.654 . . . . 0.0 109.314 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -61.41 -37.67 84.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 111.353 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 mmt -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.774 -1.204 . . . . 0.0 110.662 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.44 ' HB2' HD13 ' A' ' 85' ' ' ILE . 16.6 mtp -91.45 2.3 56.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 111.356 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.53 52.11 1.66 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.359 -0.838 . . . . 0.0 109.051 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.09 141.94 37.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.333 -0.855 . . . . 0.0 109.546 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.382 -179.8 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.7 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.212 -0.876 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.416 ' H ' ' HE2' ' A' ' 51' ' ' MET . 23.7 mmt -68.2 -28.5 67.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 53.3 p30 -50.07 -28.67 7.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.797 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.7 HG12 ' O ' ' B' ' 200' ' ' ACE . 9.1 p -71.63 -22.51 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.007 -1.058 . . . . 0.0 110.22 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.1 OUTLIER -50.51 -33.91 23.24 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.845 -1.159 . . . . 0.0 110.196 -177.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 22.8 ptp -65.84 -19.7 65.97 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.455 -1.403 . . . . 0.0 108.542 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.534 ' HZ3' ' HE3' ' B' ' 210' ' ' LYS . 6.1 tmtt? -94.24 -56.17 2.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.82 . . . . 0.0 109.933 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -61.68 -26.61 67.01 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.721 HD13 ' C ' ' B' ' 208' ' ' LEU . 1.5 tm? -60.13 -47.33 86.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.289 . . . . 0.0 110.177 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.466 ' N ' HD13 ' B' ' 208' ' ' LEU . 84.8 p -86.29 -13.0 47.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.898 -1.126 . . . . 0.0 110.284 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.534 ' HE3' ' HZ3' ' B' ' 206' ' ' LYS . 74.3 mmtt -114.29 4.2 15.36 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.434 -0.791 . . . . 0.0 110.221 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -62.68 -38.15 89.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.94 -1.1 . . . . 0.0 109.974 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.444 ' O ' HG12 ' B' ' 215' ' ' VAL . 60.1 mtpt -95.5 -37.74 10.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.026 -1.046 . . . . 0.0 109.988 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.67 -40.72 92.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.914 -1.116 . . . . 0.0 109.945 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.52 -39.59 96.6 Favored Glycine 0 N--CA 1.5 2.938 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.697 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.444 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.4 OUTLIER -55.35 -11.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.737 -1.449 . . . . 0.0 109.539 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.81 -41.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.314 -0.866 . . . . 0.0 110.469 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.17 93.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.962 -1.086 . . . . 0.0 111.436 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -93.08 -18.85 22.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.813 -1.18 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -138.91 -118.43 0.14 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.55 -0.719 . . . . 0.0 109.427 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.87 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -90.07 -1.16 57.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -63.03 -39.38 94.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' LEU . 6.2 tp -135.97 149.56 48.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 109.051 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -108.96 157.09 18.98 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.35 -39.86 95.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 110.607 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.0 -38.78 89.91 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.974 -1.079 . . . . 0.0 110.822 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.03 -40.49 95.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.895 -1.128 . . . . 0.0 110.446 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.72 -40.57 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.493 -1.379 . . . . 0.0 109.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.54 75.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 109.679 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.58 -43.42 98.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.989 -1.069 . . . . 0.0 110.164 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.68 -19.94 26.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.981 -1.074 . . . . 0.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.47 -43.26 99.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.646 -1.283 . . . . 0.0 108.986 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.45 -46.2 89.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.0 109.398 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.91 85.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.195 -0.941 . . . . 0.0 109.365 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.83 -46.03 85.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.224 -0.922 . . . . 0.0 111.193 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.72 -21.77 66.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.062 . . . . 0.0 111.768 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -41.65 91.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.514 -1.366 . . . . 0.0 110.221 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.0 -37.0 75.56 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.063 -1.023 . . . . 0.0 109.75 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.8 t0 -82.73 83.03 7.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.657 -1.277 . . . . 0.0 109.877 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.1 -27.23 68.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.185 -0.947 . . . . 0.0 109.824 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.28 -28.2 69.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.0 109.697 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.05 13.05 81.28 Favored Glycine 0 N--CA 1.497 2.71 0 O-C-N 120.608 -1.307 . . . . 0.0 110.238 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -90.65 3.46 54.11 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.287 -1.125 . . . . 0.0 110.044 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.03 8.67 87.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 79.6 p -135.96 149.54 48.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -1.114 . . . . 0.0 109.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -102.92 130.69 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -104.62 155.13 19.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.264 0.554 . . . . 0.0 109.568 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.0 p -56.64 -31.99 64.89 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.268 -0.895 . . . . 0.0 110.372 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' OG1' ' A' ' 34' ' ' THR . 68.3 mttm -70.48 -39.05 74.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.975 -1.078 . . . . 0.0 109.615 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -41.42 92.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.275 -0.89 . . . . 0.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD2' ' O ' ' B' ' 200' ' ' ACE . 0.4 OUTLIER -71.43 -55.8 7.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.066 -1.021 . . . . 0.0 110.348 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.3 -41.23 98.29 Favored Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.423 -1.37 . . . . 0.0 110.017 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -60.92 -47.06 88.14 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -1.2 . . . . 0.0 109.587 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.51 -37.99 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.657 -1.277 . . . . 0.0 109.345 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.526 ' SD ' ' N ' ' B' ' 201' ' ' MET . 12.0 ttp -63.98 -36.26 83.38 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.961 -1.087 . . . . 0.0 108.946 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -55.35 -34.83 64.59 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -58.33 -34.15 70.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -0.945 . . . . 0.0 108.774 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.1 tt -68.04 19.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.428 -0.795 . . . . 0.0 108.903 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 37.49 94.52 Favored Glycine 0 N--CA 1.484 1.855 0 O-C-N 121.109 -0.994 . . . . 0.0 110.85 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.22 161.65 20.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.447 -1.031 . . . . 0.0 109.753 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -141.31 71.57 26.9 Favored Pre-proline 0 C--N 1.301 -1.535 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.58 154.03 57.2 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.322 2.681 . . . . 0.0 112.641 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -106.96 166.05 10.89 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.687 0.756 . . . . 0.0 109.777 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.97 -42.92 95.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.614 -0.679 . . . . 0.0 110.043 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.16 95.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.171 -0.955 . . . . 0.0 110.048 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.14 -47.21 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.784 -1.198 . . . . 0.0 110.383 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.41 -40.93 73.58 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.268 -0.895 . . . . 0.0 111.799 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -62.58 -50.14 72.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.427 -1.421 . . . . 0.0 109.942 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.53 -43.84 98.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.54 ' CE ' ' SD ' ' B' ' 201' ' ' MET . 3.6 mmm -63.36 -51.24 66.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 111.099 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -38.57 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 110.717 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.49 -39.11 82.69 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.473 -0.767 . . . . 0.0 111.694 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.77 -38.01 83.82 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.063 -1.023 . . . . 0.0 111.843 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.82 4.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 120.927 -1.108 . . . . 0.0 110.72 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -79.91 108.29 13.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.875 -1.141 . . . . 0.0 109.246 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.99 -23.94 17.84 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.277 -0.889 . . . . 0.0 110.783 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 33.0 p30 -92.79 -4.24 53.36 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.927 -1.108 . . . . 0.0 109.285 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.93 27.92 62.79 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.2 p-10 -93.27 1.26 57.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.264 -1.139 . . . . 0.0 109.981 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.91 16.95 76.63 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.404 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -141.29 160.58 39.81 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.19 -1.183 . . . . 0.0 107.869 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.4 mt -101.81 120.95 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.227 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -88.58 152.24 21.97 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.431 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.6 t80 -44.41 -53.21 14.97 Favored Pre-proline 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 111.648 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.1 Cg_endo -58.06 -33.91 97.84 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 120.67 1.275 . . . . 0.0 111.502 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.81 -43.94 91.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.694 -1.254 . . . . 0.0 107.685 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.32 -45.54 94.02 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.598 0.714 . . . . 0.0 110.389 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.48 -39.68 80.62 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.007 0.908 . . . . 0.0 109.666 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.1 m -61.94 -45.22 94.64 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.71 -39.37 93.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.109 -0.994 . . . . 0.0 110.072 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.99 -42.7 90.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 110.959 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.75 49.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.904 -1.123 . . . . 0.0 108.908 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 78' ' ' ASP . 52.4 ttt85 -62.75 -40.95 98.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.403 -0.811 . . . . 0.0 109.893 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 78' ' ' ASP . 55.4 tptt -59.87 -45.21 93.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 tpp -58.52 -39.64 80.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 0.0 109.468 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -105.02 11.63 33.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.277 -0.889 . . . . 0.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 74' ' ' ARG . 35.7 t0 -169.28 -175.04 2.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.811 -1.18 . . . . 0.0 110.121 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.53 97.5 3.47 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.54 -0.725 . . . . 0.0 110.078 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.36 -1.88 57.49 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.3 p -75.14 2.32 11.09 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.87 -40.33 75.98 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.1 -39.45 86.72 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.39 -29.77 69.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.682 -0.637 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -58.71 -46.79 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -69.25 -39.53 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.521 -1.362 . . . . 0.0 110.611 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -69.56 -38.79 77.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.983 -1.073 . . . . 0.0 110.599 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.36 72.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.452 -0.78 . . . . 0.0 111.086 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 25.5 t80 -58.81 -39.08 80.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.558 -1.339 . . . . 0.0 109.114 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.54 -37.33 87.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.763 . . . . 0.0 110.114 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.62 -40.96 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.978 -1.076 . . . . 0.0 109.458 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -71.21 -40.68 70.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -80.57 83.84 6.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.018 -1.051 . . . . 0.0 110.197 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.3 -44.63 91.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.443 -0.785 . . . . 0.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p30 -68.91 -26.93 65.34 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.917 -1.114 . . . . 0.0 110.978 -178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.559 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 73.22 17.12 78.64 Favored Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.604 -1.284 . . . . 0.0 109.958 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.7 p-10 -70.8 -5.72 32.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.957 -1.319 . . . . 0.0 108.762 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.18 -1.6 80.18 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 58.9 m-85 -134.41 141.69 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -96.71 128.94 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.0 109.419 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 p -106.61 165.81 11.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.941 0.877 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.95 88.5 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.884 -0.51 . . . . 0.0 111.606 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.96 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.381 -1.449 . . . . 0.0 108.508 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -61.58 -39.9 92.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.295 -0.878 . . . . 0.0 110.227 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.0 -39.47 87.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.294 -0.879 . . . . 0.0 111.051 -178.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -63.9 -37.57 87.9 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.423 -1.423 . . . . 0.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -63.54 -60.78 2.89 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.261 -0.899 . . . . 0.0 112.743 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.05 -40.2 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.7 mtp -62.77 -39.01 92.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -65.29 -40.24 93.59 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.333 -0.854 . . . . 0.0 110.762 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -63.17 -22.99 67.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.161 -0.962 . . . . 0.0 110.958 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.28 7.52 40.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.936 -1.103 . . . . 0.0 109.913 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.37 81.92 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' B' ' 212' ' ' LYS . 87.1 tt0 -103.52 127.2 50.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.476 -1.014 . . . . 0.0 108.885 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -135.59 119.58 17.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 109.569 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.06 -177.2 3.07 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -101.11 163.69 12.16 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.173 -0.954 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.42 -41.5 85.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.279 -0.888 . . . . 0.0 110.533 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.74 -39.8 92.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.989 -1.07 . . . . 0.0 109.273 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' OE1' ' CB ' ' B' ' 218' ' ' ALA . 69.5 mm-40 -64.34 -42.78 96.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.277 -0.889 . . . . 0.0 109.664 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.7 t -71.9 -33.17 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.2 -38.84 80.89 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.233 -0.917 . . . . 0.0 109.323 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 77.2 mm-40 -61.2 -38.93 88.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.108 -0.995 . . . . 0.0 109.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.7 mtt -61.17 -42.27 98.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.002 . . . . 0.0 110.381 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.78 -46.04 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.031 -1.043 . . . . 0.0 110.045 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 123' ' ' GLU . 87.2 mtm180 -63.57 -40.79 97.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.881 -1.137 . . . . 0.0 111.389 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.73 -38.91 87.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 110.803 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.87 -0.11 57.37 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.134 -0.979 . . . . 0.0 111.094 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.3 85.71 5.77 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.82 -1.175 . . . . 0.0 109.984 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.49 -42.34 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.0 110.88 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.3 p30 -79.28 -25.19 42.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 0.0 109.361 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.572 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.36 20.15 67.45 Favored Glycine 0 N--CA 1.481 1.697 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.6 p-10 -78.16 -10.24 59.54 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.394 -1.062 . . . . 0.0 110.035 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.9 -9.46 77.2 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -132.49 166.26 22.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.318 -1.107 . . . . 0.0 108.651 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.61 124.19 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.61 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.49 -175.62 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.944 0.878 . . . . 0.0 110.341 -177.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.8 m-85 -62.75 -39.73 95.05 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.85 -50.99 71.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 109.659 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -66.22 -41.35 90.23 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 121.21 -0.931 . . . . 0.0 109.327 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -64.01 -47.1 81.63 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.688 -0.633 . . . . 0.0 110.552 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.73 -43.3 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 120.148 -1.595 . . . . 0.0 108.623 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.0 -37.51 87.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.787 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.7 ttp -61.22 -38.87 88.16 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.057 -1.027 . . . . 0.0 110.712 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.3 mtp -83.96 -16.46 44.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.009 -1.057 . . . . 0.0 112.831 -177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.26 54.57 3.11 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.361 -1.462 . . . . 0.0 109.267 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.16 145.32 32.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.325 -0.86 . . . . 0.0 109.747 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.029 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.815 ' H1 ' ' CD1' ' B' ' 204' ' ' PHE . . . . . . . . 0 C--O 1.212 -0.914 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.54 ' SD ' ' CE ' ' A' ' 51' ' ' MET . 24.1 mtt -72.32 154.82 40.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.328 -0.858 . . . . 0.0 108.887 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 32.6 p-10 -51.19 -46.24 62.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.719 -1.238 . . . . 0.0 109.543 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.476 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.6 p -74.99 -30.38 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.837 -1.165 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.815 ' CD1' ' H1 ' ' B' ' 200' ' ' ACE . 0.0 OUTLIER -51.91 -47.37 64.64 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.103 -0.998 . . . . 0.0 111.544 -178.795 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 204' ' ' PHE . 23.5 ptp -64.65 -32.85 74.69 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.476 -1.39 . . . . 0.0 109.09 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -70.08 -34.19 72.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 0.0 109.704 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -61.9 -11.94 33.39 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.36 -45.73 80.33 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.886 -1.361 . . . . 0.0 109.965 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 213' ' ' GLU . 48.0 t -62.19 -48.95 77.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.075 -1.015 . . . . 0.0 111.043 -178.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -64.14 -40.44 96.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.0 111.246 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.54 62.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.932 -1.105 . . . . 0.0 109.95 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 114' ' ' GLU . 74.1 mmtt -111.58 1.06 16.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.44 -0.787 . . . . 0.0 109.975 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 209' ' ' SER . 52.8 tp10 -63.03 -50.36 70.96 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.604 -1.31 . . . . 0.0 110.759 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -65.9 -42.06 95.12 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.853 -1.154 . . . . 0.0 111.332 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -1.31 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.059 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.427 ' H ' ' C ' ' B' ' 214' ' ' GLY . 46.1 t -61.92 -38.21 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.283 -0.886 . . . . 0.0 110.556 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.082 -1.011 . . . . 0.0 111.094 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.437 ' CB ' ' OE1' ' A' ' 120' ' ' GLU . . . -60.41 -40.16 89.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.393 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -154.6 -94.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.426 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' OD2' HG22 ' A' ' 5' ' ' THR . 65.8 t0 -85.47 76.27 10.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.208 -0.932 . . . . 0.0 109.58 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.83 -40.22 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.253 -0.905 . . . . 0.0 109.47 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -134.41 148.84 50.72 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.682 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' OD2' ' A' ' 2' ' ' ASP . 40.3 p -106.18 156.96 17.93 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.62 0.724 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.77 -39.4 88.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.648 -0.658 . . . . 0.0 110.355 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -58.65 -43.81 89.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.965 -1.084 . . . . 0.0 110.081 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -61.98 -45.58 92.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.117 -0.99 . . . . 0.0 111.313 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.89 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.318 -1.489 . . . . 0.0 109.61 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.44 91.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.988 -1.07 . . . . 0.0 110.537 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.67 -44.7 96.45 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.956 -1.09 . . . . 0.0 110.681 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -88.12 -28.35 21.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.021 -1.05 . . . . 0.0 110.557 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -62.91 -43.53 98.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.871 -1.143 . . . . 0.0 109.296 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.04 -46.74 88.54 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.755 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.41 68.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 0.0 110.087 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -58.36 -46.85 85.49 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.148 -0.97 . . . . 0.0 111.48 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.67 -36.82 77.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 111.046 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -40.76 73.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.728 -1.233 . . . . 0.0 109.933 -178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -66.36 -40.33 89.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.765 -1.209 . . . . 0.0 109.276 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 48.9 t0 -84.23 82.06 8.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.562 -1.336 . . . . 0.0 109.878 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.72 -25.17 68.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.899 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.64 -27.35 69.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.041 -1.037 . . . . 0.0 110.128 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.01 79.94 Favored Glycine 0 N--CA 1.497 2.754 0 O-C-N 120.475 -1.391 . . . . 0.0 110.567 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -92.19 3.6 55.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.213 -1.169 . . . . 0.0 110.162 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 7.01 88.97 Favored Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.201 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 70.6 p -134.76 149.1 50.38 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.35 -1.088 . . . . 0.0 108.873 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.3 mt -105.96 131.66 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.0 p -108.07 158.67 17.2 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.263 0.554 . . . . 0.0 110.033 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.6 p -55.98 -34.55 65.84 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.269 -0.894 . . . . 0.0 110.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.87 -39.75 83.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.964 -1.085 . . . . 0.0 109.795 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.5 -42.54 92.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 0.0 110.553 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 -53.15 16.97 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.241 -0.912 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.94 98.35 Favored Glycine 0 N--CA 1.486 2.009 0 C-N-CA 119.261 -1.447 . . . . 0.0 109.742 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.5 m -60.5 -46.41 90.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.365 . . . . 0.0 109.273 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.59 -37.78 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.76 -1.213 . . . . 0.0 109.051 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 ttt -62.26 -35.6 79.46 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.03 -1.044 . . . . 0.0 109.135 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.98 -37.34 76.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.402 -0.811 . . . . 0.0 109.724 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.0 m -59.6 -30.1 68.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.207 -0.933 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.524 HD11 ' CE1' ' B' ' 204' ' ' PHE . 1.2 tt -68.37 16.83 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.322 -0.861 . . . . 0.0 108.881 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.01 33.23 86.67 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -113.6 160.31 18.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.603 -0.939 . . . . 0.0 109.505 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -140.3 69.99 33.44 Favored Pre-proline 0 C--N 1.296 -1.74 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.69 160.03 44.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 122.42 2.08 . . . . 0.0 112.21 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.0 p -104.47 168.73 8.9 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.743 0.782 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.62 -42.96 93.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.083 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.077 -1.014 . . . . 0.0 110.04 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.64 -45.27 87.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.91 -1.119 . . . . 0.0 110.123 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.83 -38.0 82.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.356 -0.84 . . . . 0.0 109.475 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -60.4 -47.43 86.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.252 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.05 -41.99 98.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.89 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 47.7 mtt -59.99 -50.72 72.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.997 -1.064 . . . . 0.0 110.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -36.81 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.966 -1.084 . . . . 0.0 110.766 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.81 -35.79 71.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.443 -0.786 . . . . 0.0 110.611 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.92 -19.61 52.71 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 111.382 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.4 p -134.26 27.7 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 121.059 -1.025 . . . . 0.0 111.704 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -92.23 101.93 14.43 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.686 -1.259 . . . . 0.0 108.777 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.07 -18.04 21.34 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 64' ' ' ASP . 64.1 m-20 -89.89 -14.65 33.81 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.888 -1.132 . . . . 0.0 108.547 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.55 18.85 68.35 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 107.71 -2.156 . . . . 0.0 107.71 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.13 1.67 54.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.632 -0.922 . . . . 0.0 110.293 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.91 22.49 75.74 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 60.1 p -140.68 160.6 39.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.235 -1.156 . . . . 0.0 108.107 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.2 122.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.375 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 65.7 m-20 -93.29 157.32 16.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.972 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.426 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 31.0 t80 -46.86 -51.55 38.26 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.7 -35.35 94.98 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 120.958 1.378 . . . . 0.0 111.515 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.18 -43.91 93.63 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.65 -43.98 97.83 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.24 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.43 -39.64 88.16 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.929 0.871 . . . . 0.0 109.717 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.92 -42.98 99.72 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttp -60.96 -40.65 94.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.208 -0.932 . . . . 0.0 109.005 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -40.37 91.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.085 -1.009 . . . . 0.0 110.272 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.67 55.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.971 -1.081 . . . . 0.0 108.83 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -57.73 -25.06 59.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.464 -0.773 . . . . 0.0 110.446 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 210' ' ' LYS . 38.5 ttpt -56.55 -45.5 81.19 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.132 -0.98 . . . . 0.0 109.061 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -63.74 -40.78 97.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.224 -0.923 . . . . 0.0 110.107 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.84 -37.85 73.18 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.146 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.1 t0 58.08 60.23 2.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.237 -0.914 . . . . 0.0 109.431 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -76.21 0.49 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.103 -0.998 . . . . 0.0 110.059 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.85 -24.62 24.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.842 -1.161 . . . . 0.0 109.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.459 ' OG ' ' NZ ' ' B' ' 206' ' ' LYS . 70.4 m -54.3 -22.96 13.34 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.601 -0.687 . . . . 0.0 109.211 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.37 -46.24 86.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.1 -38.19 87.95 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.216 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -72.05 -23.39 61.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.275 -0.891 . . . . 0.0 110.198 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.37 -39.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -63.49 -37.37 87.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.767 -1.208 . . . . 0.0 110.214 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.4 -36.85 83.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.951 -1.093 . . . . 0.0 109.665 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.46 63.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.231 -0.918 . . . . 0.0 109.867 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 33.4 t80 -55.83 -37.95 69.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.007 -1.058 . . . . 0.0 109.201 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -65.24 -37.03 85.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.356 -0.84 . . . . 0.0 109.966 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -40.85 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.953 -1.092 . . . . 0.0 109.445 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -72.3 -41.7 66.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.44 -0.787 . . . . 0.0 109.855 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -81.47 83.81 6.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 110.035 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -65.14 -42.92 93.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.502 -0.749 . . . . 0.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.8 p30 -68.7 -26.91 65.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.957 -1.09 . . . . 0.0 110.945 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.27 14.77 81.61 Favored Glycine 0 N--CA 1.489 2.178 0 C-N-CA 119.462 -1.351 . . . . 0.0 109.817 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.7 p-10 -69.92 -5.68 27.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.977 -1.308 . . . . 0.0 108.705 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.77 2.81 81.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 36.4 m-85 -136.94 145.77 44.64 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.43 127.48 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.804 -1.185 . . . . 0.0 108.754 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 p -105.72 166.37 10.51 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.975 0.893 . . . . 0.0 110.705 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.75 88.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.871 -0.518 . . . . 0.0 111.398 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.5 86.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.434 -1.416 . . . . 0.0 108.643 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.54 -41.22 97.03 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.32 -39.71 85.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.0 110.761 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -64.83 -37.21 86.84 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.437 -1.414 . . . . 0.0 110.167 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -65.07 -60.51 2.95 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.339 -0.851 . . . . 0.0 112.532 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.55 -40.51 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.055 -1.028 . . . . 0.0 109.29 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.1 mtp -62.23 -38.28 88.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.117 -0.99 . . . . 0.0 110.193 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.3 m -64.78 -40.25 94.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.223 -0.923 . . . . 0.0 110.742 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.25 -22.47 66.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.137 -0.977 . . . . 0.0 111.191 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.46 7.87 30.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.794 -1.191 . . . . 0.0 109.775 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.25 13.76 82.45 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -108.65 141.5 40.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.7 -0.883 . . . . 0.0 109.212 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.9 124.62 11.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.28 -176.86 3.0 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.7 p -100.88 163.67 12.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.157 -0.964 . . . . 0.0 109.214 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.56 -39.45 84.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.112 -0.992 . . . . 0.0 110.12 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.21 -40.21 95.33 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 109.358 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.47 -43.45 94.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.256 -0.902 . . . . 0.0 109.694 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.07 -37.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.76 -43.12 98.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.037 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.79 -37.9 88.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.07 -1.019 . . . . 0.0 110.054 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.0 mtt -61.09 -39.87 91.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.302 -0.874 . . . . 0.0 109.816 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.56 -44.18 99.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 108.831 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -61.09 -45.89 92.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.873 -1.142 . . . . 0.0 110.898 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.79 -39.15 87.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.21 -0.931 . . . . 0.0 111.812 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.31 -11.5 54.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.67 -1.268 . . . . 0.0 111.031 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -76.01 90.58 3.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.725 -1.234 . . . . 0.0 109.861 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.95 -46.07 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.8 p30 -76.28 -23.93 54.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.065 -1.022 . . . . 0.0 109.06 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.543 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.91 22.07 50.69 Favored Glycine 0 N--CA 1.481 1.662 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.191 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.465 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 42.7 p30 -80.08 -6.78 58.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -1.138 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 80.88 -1.34 84.47 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -138.66 159.68 41.51 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.195 -1.179 . . . . 0.0 108.293 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -98.65 123.69 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.955 -1.091 . . . . 0.0 108.563 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.26 -176.16 2.98 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.976 0.893 . . . . 0.0 110.599 -177.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.0 m-85 -60.98 -40.28 92.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -50.46 73.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -67.97 -42.08 81.42 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.33 -48.44 79.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.583 -0.698 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.17 -43.19 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.154 -1.591 . . . . 0.0 108.382 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -70.38 -36.77 74.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 112.173 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 ttt -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.843 -1.161 . . . . 0.0 110.521 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -7.21 11.54 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.119 -0.988 . . . . 0.0 112.603 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.45 54.74 1.63 Allowed 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.339 -1.476 . . . . 0.0 109.931 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.35 135.82 47.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.438 -0.789 . . . . 0.0 109.273 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.988 -1.005 . . . . 0.0 109.354 -179.658 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.509 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.214 -0.795 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 98.1 mtp -131.07 21.37 4.89 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 27.6 p-10 -56.56 -51.6 67.97 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.195 -0.941 . . . . 0.0 111.072 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.405 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 7.5 p -72.97 -27.46 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 120.817 -1.177 . . . . 0.0 111.296 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 39' ' ' LEU . 3.8 t80 -52.39 -49.12 65.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 111.049 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 19.6 ptp -87.01 -38.35 16.66 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.682 -1.261 . . . . 0.0 109.836 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.459 ' NZ ' ' OG ' ' A' ' 81' ' ' SER . 38.9 ttpt -63.96 -40.93 97.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.041 -1.037 . . . . 0.0 110.666 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.58 97.15 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.375 -1.393 . . . . 0.0 109.937 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' LEU . . . . . 0.432 ' O ' HD12 ' B' ' 208' ' ' LEU . 0.1 OUTLIER -72.9 -50.79 21.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.972 -1.31 . . . . 0.0 109.251 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 209' ' ' SER . . . . . 0.42 ' N ' ' HG ' ' B' ' 208' ' ' LEU . 92.8 p -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.914 -1.116 . . . . 0.0 109.88 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 75' ' ' LYS . 55.9 tptt -63.48 -42.88 98.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.357 -0.839 . . . . 0.0 109.383 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -61.82 -21.41 64.61 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -94.09 123.34 37.4 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.662 ' O ' HG23 ' B' ' 216' ' ' VAL . 47.6 tp10 -124.42 -90.59 0.56 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -60.56 -39.56 96.61 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.427 ' O ' HG13 ' B' ' 215' ' ' VAL . 0.3 OUTLIER -67.95 3.59 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.125 -1.22 . . . . 0.0 109.845 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 213' ' ' GLU . 44.5 t -60.14 -39.74 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.161 -0.962 . . . . 0.0 111.366 -178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.02 86.81 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.569 -1.332 . . . . 0.0 110.976 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.59 90.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.625 -1.297 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -134.21 -104.51 0.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.832 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.313 0.578 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -91.69 0.45 57.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.186 -0.947 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -39.44 91.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.322 -0.861 . . . . 0.0 109.492 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 tp -129.56 147.88 51.41 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -107.99 156.52 19.14 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.727 0.775 . . . . 0.0 110.769 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -64.91 -20.13 66.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.577 -0.702 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.8 -40.2 83.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.018 -1.051 . . . . 0.0 109.697 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -64.02 -40.71 96.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.341 -0.849 . . . . 0.0 110.748 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.7 -45.25 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.562 -1.336 . . . . 0.0 109.351 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.71 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.073 -1.017 . . . . 0.0 110.188 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -62.02 -44.02 97.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.922 -1.111 . . . . 0.0 110.677 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.12 -28.88 20.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.991 -1.068 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.9 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.993 -1.067 . . . . 0.0 109.274 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.92 -46.09 90.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.397 -0.814 . . . . 0.0 109.15 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -28.51 61.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 110.12 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 84.6 t80 -59.11 -46.43 88.33 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.132 -0.98 . . . . 0.0 111.558 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.41 -36.38 75.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.95 -1.094 . . . . 0.0 111.32 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.671 -1.268 . . . . 0.0 110.406 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.94 -39.52 83.45 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.7 -1.25 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.71 81.73 8.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.759 -1.213 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.24 -24.51 67.69 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.12 -0.988 . . . . 0.0 109.757 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -28.97 70.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 10.14 83.21 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.536 -1.352 . . . . 0.0 110.206 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -90.87 3.7 53.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.215 -1.168 . . . . 0.0 109.799 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.62 8.69 87.54 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.7 p -135.33 149.71 49.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.179 -1.189 . . . . 0.0 108.845 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.76 128.96 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -104.88 157.9 16.89 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.213 0.53 . . . . 0.0 109.628 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -55.47 -34.69 64.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.282 -0.886 . . . . 0.0 109.896 -178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.6 -41.39 88.51 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.093 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -41.61 93.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.375 -0.828 . . . . 0.0 111.446 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -54.91 10.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.059 -1.025 . . . . 0.0 109.909 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.76 99.11 Favored Glycine 0 N--CA 1.485 1.94 0 C-N-CA 119.434 -1.365 . . . . 0.0 110.283 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -59.38 -46.21 89.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.657 -1.496 . . . . 0.0 109.611 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.02 -37.99 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.684 -1.26 . . . . 0.0 109.489 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.601 ' HG3' HE22 ' A' ' 41' ' ' GLN . 48.8 ttp -67.61 -37.35 82.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.922 -1.112 . . . . 0.0 109.759 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.35 -35.05 73.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.056 -1.027 . . . . 0.0 109.694 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.569 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.6 m -55.81 -33.81 64.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.105 -0.997 . . . . 0.0 109.126 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.51 25.7 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.949 . . . . 0.0 108.69 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.99 41.71 98.51 Favored Glycine 0 N--CA 1.484 1.85 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.601 HE22 ' HG3' ' A' ' 36' ' ' MET . 37.5 mt-30 -117.1 155.28 29.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.587 -0.949 . . . . 0.0 109.15 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.13 75.38 20.35 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.527 -0.733 . . . . 0.0 109.315 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.8 162.53 26.78 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.845 2.363 . . . . 0.0 112.729 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -104.63 162.41 13.3 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.69 0.757 . . . . 0.0 109.775 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.66 -43.51 97.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.704 -0.623 . . . . 0.0 110.608 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.4 94.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.924 -1.11 . . . . 0.0 109.997 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.63 -46.25 86.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.809 -1.182 . . . . 0.0 109.918 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.54 -38.87 81.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.336 -0.853 . . . . 0.0 110.598 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.607 HE22 ' CG ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -61.69 -42.51 99.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.955 -1.09 . . . . 0.0 108.5 -179.057 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.44 -45.23 91.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.458 -0.776 . . . . 0.0 110.442 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HG2' ' HZ1' ' B' ' 206' ' ' LYS . 7.2 mtt -60.29 -52.11 66.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.918 -1.114 . . . . 0.0 110.697 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -35.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 109.907 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.607 ' CG ' HE22 ' A' ' 49' ' ' GLN . 0.8 OUTLIER -59.1 -27.07 65.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.071 -1.018 . . . . 0.0 110.442 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.81 -21.17 66.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.822 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.8 p -135.0 29.0 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 121.206 -0.934 . . . . 0.0 111.871 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.8 t0 -91.41 104.3 16.83 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.61 -1.306 . . . . 0.0 108.95 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.23 -23.47 18.52 Favored 'General case' 0 N--CA 1.504 2.236 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.324 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 20.3 p30 -93.44 -7.74 43.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 109.147 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.88 26.08 68.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.0 p30 -96.25 1.33 52.0 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.404 -1.056 . . . . 0.0 110.215 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.2 22.51 74.48 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.479 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -140.42 160.98 38.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.289 -1.124 . . . . 0.0 107.968 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -106.1 122.52 59.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.778 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -93.19 156.73 16.66 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.857 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 30.4 t80 -46.95 -52.18 34.89 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 111.617 -178.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -59.15 -35.66 97.32 Favored 'Trans proline' 0 N--CA 1.49 1.267 0 CA-C-N 120.921 1.365 . . . . 0.0 111.541 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.21 -44.23 92.56 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 31.2 t80 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.689 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -59.06 -39.77 83.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.988 0.899 . . . . 0.0 109.477 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -63.57 -42.88 98.28 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.06 -41.29 97.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.96 -42.39 94.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.505 -0.747 . . . . 0.0 110.487 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.13 51.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 108.313 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -64.05 -29.29 70.44 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HZ1' ' HB3' ' B' ' 206' ' ' LYS . 60.2 mmtt -60.15 -43.27 95.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 110.393 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.9 ptp -68.99 -13.62 62.56 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.638 -1.289 . . . . 0.0 110.161 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 57.4 tptt -68.54 -38.06 80.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.895 -1.128 . . . . 0.0 110.004 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 12.6 t0 81.81 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.55 -81.51 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.614 -0.679 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 97.1 m-20 -88.78 -25.58 22.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.082 -1.011 . . . . 0.0 108.274 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.3 t -46.98 -26.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.01 -41.99 99.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.196 -0.94 . . . . 0.0 108.557 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ASP . 98.3 mt-10 -66.0 -40.32 91.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.03 -38.39 75.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.095 -1.003 . . . . 0.0 109.74 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.486 HD11 ' HG3' ' B' ' 210' ' ' LYS . 61.4 mt -62.66 -39.86 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.526 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.891 -1.131 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.23 -37.49 83.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 0.0 109.581 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -31.93 59.6 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.7 t80 -57.23 -38.37 73.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.76 -39.67 94.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' H2 ' ' B' ' 200' ' ' ACE . 0.9 OUTLIER -77.18 -37.83 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.944 -1.097 . . . . 0.0 109.859 -178.723 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -67.52 -41.92 83.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.331 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -83.73 84.64 7.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.893 -1.13 . . . . 0.0 109.974 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.52 -38.5 89.84 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.572 -0.705 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.03 -28.92 68.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.216 -0.927 . . . . 0.0 110.65 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.9 12.3 84.72 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 34.9 p-10 -71.58 -4.79 28.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.102 -1.234 . . . . 0.0 109.047 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.42 4.02 86.29 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 32.9 m-85 -137.16 146.33 44.83 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.44 127.62 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.071 -1.018 . . . . 0.0 108.903 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.0 p -105.33 165.12 11.34 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.988 0.899 . . . . 0.0 110.537 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.32 90.78 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.892 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.45 87.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.381 -1.449 . . . . 0.0 108.78 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 88.6 mt-10 -61.46 -39.95 92.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.875 . . . . 0.0 110.136 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.87 -39.01 87.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 111.339 -178.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.311 -1.493 . . . . 0.0 110.244 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -65.64 -60.18 3.18 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.281 -0.887 . . . . 0.0 112.624 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.6 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.012 -1.055 . . . . 0.0 109.452 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.2 mtp -62.42 -37.89 87.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.04 -1.037 . . . . 0.0 110.142 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.0 m -65.36 -40.05 93.08 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.193 -0.942 . . . . 0.0 110.893 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.75 -22.34 66.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.097 -1.002 . . . . 0.0 111.565 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 mt -88.29 9.64 22.47 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.741 -1.224 . . . . 0.0 109.988 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.36 11.66 84.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -104.71 139.69 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.589 -0.948 . . . . 0.0 109.153 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -143.9 119.89 10.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.386 -0.821 . . . . 0.0 109.577 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.32 -177.45 3.13 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -101.12 163.33 12.33 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.28 -0.887 . . . . 0.0 108.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.61 -38.91 82.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.003 -1.061 . . . . 0.0 110.03 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.32 -39.9 94.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.052 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.2 -43.67 94.35 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.14 -36.55 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.96 -48.14 82.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.118 -0.989 . . . . 0.0 109.151 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.87 -37.52 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.179 -0.951 . . . . 0.0 109.79 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.95 -40.66 67.02 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.21 -40.68 83.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.491 -0.755 . . . . 0.0 109.11 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.18 -42.4 98.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.241 -0.912 . . . . 0.0 110.925 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -69.66 -38.87 77.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.73 -1.231 . . . . 0.0 111.269 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.69 -4.27 59.15 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.941 -1.1 . . . . 0.0 110.991 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -79.75 89.25 5.19 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.665 -1.272 . . . . 0.0 110.331 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.406 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -94.14 -45.81 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 111.414 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.8 p-10 -75.31 -26.1 58.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 108.889 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.76 20.65 63.14 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 55.6 p-10 -77.78 -7.5 56.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.383 -1.069 . . . . 0.0 109.943 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.26 -11.01 68.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.3 mp0 -131.59 166.78 20.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.327 -1.102 . . . . 0.0 108.467 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.32 125.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.606 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 -178.72 3.67 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.806 0.812 . . . . 0.0 110.595 -178.265 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.588 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.9 m-85 -59.34 -39.51 83.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -50.16 74.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.356 -0.84 . . . . 0.0 109.676 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 48.0 mt-10 -68.02 -41.8 81.62 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -62.45 -48.67 78.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.626 -0.671 . . . . 0.0 111.427 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.68 -42.64 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.895 -1.753 . . . . 0.0 107.108 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -65.21 -36.79 85.26 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.883 . . . . 0.0 111.946 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.0 ttp -58.93 -48.28 82.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.826 -1.171 . . . . 0.0 111.487 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -0.26 17.9 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.08 -1.012 . . . . 0.0 113.036 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.23 54.15 0.97 Allowed 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.423 -1.423 . . . . 0.0 109.214 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.76 144.64 33.11 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.44 -0.788 . . . . 0.0 109.525 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 148' ' ' LYS . 15.7 ptpt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.091 -0.957 . . . . 0.0 109.109 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.789 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.21 -1.01 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 62.2 mtt -62.75 -36.78 84.17 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.298 -0.876 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 49.0 p30 -51.58 -25.73 7.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.807 -1.183 . . . . 0.0 109.959 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 203' ' ' VAL . . . . . 0.789 HG12 ' O ' ' B' ' 200' ' ' ACE . 6.6 p -64.86 -17.88 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.027 -1.045 . . . . 0.0 109.624 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.6 OUTLIER -50.92 -33.87 26.15 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.994 -1.067 . . . . 0.0 110.916 -177.316 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 205' ' ' MET . 3.6 ppp? -79.42 -28.4 41.73 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.476 -1.39 . . . . 0.0 109.477 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.524 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 98.7 mttt -86.62 -31.76 20.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.148 -0.97 . . . . 0.0 110.253 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 207' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -75.84 -4.39 76.65 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.076 -1.015 . . . . 0.0 110.718 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -52.1 10.13 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.015 -1.285 . . . . 0.0 110.17 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.4 m -65.45 -39.59 92.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.099 -1.001 . . . . 0.0 110.93 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 210' ' ' LYS . . . . . 0.486 ' HG3' HD11 ' A' ' 85' ' ' ILE . 73.9 mmtt -94.61 6.24 49.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.172 -0.955 . . . . 0.0 110.832 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -60.39 -37.59 81.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.667 -1.271 . . . . 0.0 109.55 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -133.51 144.22 49.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.143 -0.973 . . . . 0.0 109.558 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 213' ' ' GLU . . . . . 0.603 ' CG ' ' H ' ' B' ' 214' ' ' GLY . 4.7 pm0 -171.48 -99.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -0.853 . . . . 0.0 108.91 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' GLY . . . . . 0.603 ' H ' ' CG ' ' B' ' 213' ' ' GLU . . . -59.63 -38.37 93.64 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 1.8 p -52.07 -13.58 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.947 -1.325 . . . . 0.0 109.508 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' B' ' 214' ' ' GLY . 51.7 t -61.5 -36.71 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.459 -0.776 . . . . 0.0 110.287 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.2 76.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.116 -0.99 . . . . 0.0 111.236 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 218' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -60.42 -40.09 89.74 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.43 -1.418 . . . . 0.0 109.328 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 219' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 72.3 139.34 0.05 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 109.476 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -89.28 4.39 48.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.706 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -134.39 151.26 51.09 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -110.83 138.33 47.37 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 p -108.44 161.34 15.12 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.87 -38.01 84.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.354 -0.841 . . . . 0.0 109.617 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.01 -39.14 93.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.011 . . . . 0.0 110.971 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -62.86 -42.49 99.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.692 -1.255 . . . . 0.0 110.493 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.59 -39.88 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.518 -1.364 . . . . 0.0 108.924 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.46 77.92 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.938 -1.101 . . . . 0.0 109.863 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.44 -44.13 97.65 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.843 -1.161 . . . . 0.0 110.657 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -87.42 -21.17 25.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.888 -1.132 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.25 -42.55 96.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.754 -1.216 . . . . 0.0 109.236 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.81 -43.44 98.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.024 -1.047 . . . . 0.0 109.351 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.29 83.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.22 -0.925 . . . . 0.0 109.092 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -58.13 -45.61 87.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 111.407 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.1 p -62.22 -20.56 64.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.886 -1.134 . . . . 0.0 111.546 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -40.99 97.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.531 -1.356 . . . . 0.0 109.871 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' SD ' ' B' ' 205' ' ' MET . 84.2 m-85 -69.13 -37.82 78.52 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.07 -1.019 . . . . 0.0 109.54 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.86 84.87 7.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.619 -1.301 . . . . 0.0 110.054 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.74 -39.54 94.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.266 -0.897 . . . . 0.0 111.179 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 57.6 p30 -65.43 -23.04 66.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.737 -1.227 . . . . 0.0 110.198 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.34 21.13 79.5 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -80.46 -0.91 39.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.036 -1.273 . . . . 0.0 109.378 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 4.2 90.5 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.6 p -136.07 147.49 47.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.359 -1.083 . . . . 0.0 108.468 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -98.87 130.22 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.276 -0.89 . . . . 0.0 109.004 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.1 p -105.95 157.92 17.15 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.267 0.556 . . . . 0.0 110.393 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 p -56.97 -36.16 69.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.23 -0.919 . . . . 0.0 110.308 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.86 -41.88 95.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.789 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -41.08 93.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.553 -0.717 . . . . 0.0 111.089 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD22 ' OD1' ' B' ' 202' ' ' ASP . 0.5 OUTLIER -69.32 -54.91 12.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.612 -179.247 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.69 -40.8 98.53 Favored Glycine 0 N--CA 1.484 1.875 0 C-N-CA 119.305 -1.426 . . . . 0.0 110.184 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -59.07 -46.09 89.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.559 -1.554 . . . . 0.0 108.896 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.78 -37.09 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.741 -1.224 . . . . 0.0 109.21 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.5 ttp -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.652 -1.28 . . . . 0.0 109.369 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -60.44 -34.39 73.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.189 -0.945 . . . . 0.0 109.058 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 41.3 t -50.06 -35.21 24.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.258 -0.901 . . . . 0.0 108.794 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.82 23.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.246 -0.909 . . . . 0.0 108.757 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.22 42.6 98.74 Favored Glycine 0 N--CA 1.486 2.016 0 O-C-N 121.205 -0.934 . . . . 0.0 111.262 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.58 HE22 ' C ' ' B' ' 200' ' ' ACE . 91.0 mt-30 -112.92 164.57 13.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.457 -1.026 . . . . 0.0 110.114 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -138.04 73.58 45.06 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.12 162.05 37.43 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.789 2.326 . . . . 0.0 113.26 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.46 163.1 13.73 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.851 0.834 . . . . 0.0 109.761 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.98 -41.73 92.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.356 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.964 -1.085 . . . . 0.0 110.698 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE2' ' SD ' ' A' ' 51' ' ' MET . 15.1 tm-20 -66.76 -46.12 76.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.547 -1.346 . . . . 0.0 110.308 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.04 -39.76 90.42 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.109 -0.995 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.63 -45.87 90.84 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.929 -1.107 . . . . 0.0 108.687 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.72 -40.48 95.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.693 -0.629 . . . . 0.0 110.663 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 202' ' ' ASP . 14.2 mtt -58.28 -55.5 34.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.059 -1.026 . . . . 0.0 110.314 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.88 -37.3 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 109.924 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -54.08 -27.95 35.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.3 -0.875 . . . . 0.0 110.467 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.51 -20.69 66.09 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 111.548 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -134.94 29.92 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 121.0 -1.063 . . . . 0.0 111.807 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -88.56 98.67 11.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.553 -1.342 . . . . 0.0 109.244 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.12 -28.93 14.83 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.322 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -83.62 -13.99 53.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.908 -1.12 . . . . 0.0 108.827 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.2 23.04 71.33 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -94.4 1.37 55.83 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.435 -1.038 . . . . 0.0 110.215 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.48 16.52 75.73 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 121.084 -1.01 . . . . 0.0 110.674 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.3 p -140.41 161.78 36.89 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.197 -1.178 . . . . 0.0 107.943 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -101.11 121.72 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.406 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.7 m-20 -93.15 154.2 18.2 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.8 t80 -43.46 -52.48 13.36 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.486 -0.759 . . . . 0.0 111.962 -178.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.8 Cg_endo -59.45 -34.77 97.23 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 CA-C-N 120.991 1.39 . . . . 0.0 111.553 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.56 -44.2 94.82 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.55 -46.36 90.27 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.171 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.94 -38.57 82.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.872 . . . . 0.0 110.012 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -62.61 -43.49 98.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.703 -0.623 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.3 ttp -62.35 -40.74 97.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.433 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.29 -40.84 91.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 0.0 110.821 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.26 -24.28 51.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.908 -1.12 . . . . 0.0 109.14 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ASP . 14.6 tpp85 -59.16 -39.66 83.17 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.571 -0.705 . . . . 0.0 110.303 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ASP . 57.1 mtmt -62.78 -45.25 93.56 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.603 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 mmm -69.73 -40.3 76.29 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.558 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.12 -39.21 25.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.983 -1.073 . . . . 0.0 109.803 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 79' ' ' THR . 39.2 t0 -138.99 -173.94 3.71 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.987 0.899 . . . . 0.0 109.599 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.9 OUTLIER -131.1 55.36 1.85 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.729 0.776 . . . . 0.0 109.718 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.47 -11.06 60.68 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -76.86 7.48 4.73 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 -40.6 78.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.377 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 -43.73 92.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.254 -0.904 . . . . 0.0 109.105 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 59.0 mp0 -70.52 -29.46 65.96 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.285 -0.884 . . . . 0.0 109.674 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mt -60.7 -44.83 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.01 -36.86 84.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.936 -1.102 . . . . 0.0 109.985 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' SD ' ' B' ' 201' ' ' MET . 88.1 tt0 -61.64 -39.39 91.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.78 -31.24 58.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.112 -0.993 . . . . 0.0 109.463 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.2 t80 -57.51 -41.04 80.02 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.213 -0.93 . . . . 0.0 109.17 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -63.53 -39.87 95.56 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.51 -0.744 . . . . 0.0 110.642 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.93 -40.01 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.123 -0.986 . . . . 0.0 109.777 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -69.55 -40.59 76.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.194 -0.941 . . . . 0.0 109.694 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -81.82 84.35 6.9 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.954 -1.091 . . . . 0.0 110.345 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.61 -41.56 92.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.5 -0.75 . . . . 0.0 111.52 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.0 p30 -68.24 -26.44 65.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.887 -1.133 . . . . 0.0 111.148 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.49 14.87 81.61 Favored Glycine 0 N--CA 1.488 2.139 0 C-N-CA 119.471 -1.347 . . . . 0.0 109.786 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.493 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.3 p-10 -71.2 -4.25 24.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.011 -1.288 . . . . 0.0 108.79 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.98 1.81 86.57 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.8 m-85 -135.74 148.08 48.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.6 128.99 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.82 -1.175 . . . . 0.0 109.175 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.0 p -106.85 165.23 11.48 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 122.015 0.912 . . . . 0.0 110.691 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.52 91.57 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.236 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.08 85.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.281 -1.512 . . . . 0.0 108.539 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.46 -40.98 96.47 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.24 -0.912 . . . . 0.0 109.822 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.458 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.75 -40.8 92.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.503 -0.748 . . . . 0.0 110.573 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.9 ttp180 -61.83 -38.63 88.88 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 120.691 -1.256 . . . . 0.0 110.255 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.66 -61.45 2.19 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.299 -0.876 . . . . 0.0 112.578 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.99 -40.51 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.11 -0.994 . . . . 0.0 110.041 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 113' ' ' GLY . 98.9 mtp -62.73 -39.41 93.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.843 -1.161 . . . . 0.0 110.402 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 86.0 m -63.84 -48.58 76.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.749 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.71 -37.88 73.57 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.109 -0.994 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.23 -3.58 31.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.462 -0.774 . . . . 0.0 110.943 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -145.64 -96.08 0.19 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.8 152.41 2.0 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.553 -1.557 . . . . 0.0 108.467 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.08 133.05 49.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.815 -1.178 . . . . 0.0 109.792 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.09 -170.9 1.72 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.3 p -101.28 160.24 14.58 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.075 -1.016 . . . . 0.0 108.969 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.1 -39.68 83.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.0 110.007 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.82 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.974 -1.079 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.13 -44.15 97.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.1 -29.65 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.08 -43.04 95.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.085 -1.009 . . . . 0.0 109.38 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.48 -38.5 90.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.163 -0.961 . . . . 0.0 109.911 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtt -56.15 -41.89 76.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 109.156 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.93 -43.67 89.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 109.671 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -60.06 -46.42 89.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.954 -1.091 . . . . 0.0 110.997 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.61 -38.78 90.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.973 -1.079 . . . . 0.0 111.232 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.23 -0.97 57.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 111.236 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -80.53 84.05 6.2 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.264 . . . . 0.0 110.431 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.69 -45.34 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.937 . . . . 0.0 111.164 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.0 p-10 -76.25 -25.96 55.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.127 -0.983 . . . . 0.0 109.195 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.98 21.27 63.48 Favored Glycine 0 N--CA 1.483 1.775 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.4 p-10 -79.34 -7.7 58.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.356 -1.085 . . . . 0.0 110.295 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.11 -9.84 73.21 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.2 mp0 -131.72 164.17 26.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.351 -1.088 . . . . 0.0 108.548 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.9 t -100.6 124.18 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.43 -177.48 3.33 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.937 0.875 . . . . 0.0 110.909 -177.79 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.8 m-85 -60.07 -39.99 87.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.67 -50.25 74.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.784 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -68.71 -41.63 78.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.278 -0.889 . . . . 0.0 109.545 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.6 -47.5 83.5 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.75 -0.594 . . . . 0.0 110.8 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.76 -43.68 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 O-C-N 120.043 -1.661 . . . . 0.0 108.451 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -64.86 -38.32 90.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.442 -0.786 . . . . 0.0 110.672 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.424 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 5.3 ttp -61.19 -38.76 87.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.138 -0.976 . . . . 0.0 110.491 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.1 mmm -82.67 -15.36 52.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.145 -0.972 . . . . 0.0 112.194 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 56.74 3.27 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.546 -1.346 . . . . 0.0 108.921 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.44 37.81 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.335 -0.853 . . . . 0.0 109.751 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.254 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ACE . . . . . 0.58 ' C ' HE22 ' A' ' 41' ' ' GLN . . . . . . . . 0 C--O 1.216 -0.701 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 201' ' ' MET . . . . . 0.501 ' O ' ' N ' ' B' ' 204' ' ' PHE . 26.7 mtt -118.87 -157.73 0.7 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 202' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 51' ' ' MET . 66.8 m-20 -48.01 -27.5 2.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.044 -1.66 . . . . 0.0 107.879 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.81 -26.32 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.603 -0.686 . . . . 0.0 109.81 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.2 OUTLIER -50.0 -31.59 13.11 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 121.261 -0.899 . . . . 0.0 110.833 -177.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 205' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 19' ' ' PHE . 3.7 ptp -101.87 -3.48 27.86 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.003 -1.061 . . . . 0.0 109.25 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -97.79 -66.73 0.88 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.416 -0.802 . . . . 0.0 111.119 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.51 97.39 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.22 -47.44 84.43 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.322 -1.105 . . . . 0.0 109.82 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.1 m -61.77 -42.58 99.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.985 . . . . 0.0 109.428 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.18 -43.74 97.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -87.58 -2.29 58.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.296 -0.878 . . . . 0.0 110.289 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' LYS . . . . . 0.767 ' O ' HG23 ' B' ' 216' ' ' VAL . 39.8 ttmt -59.94 -44.73 94.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.002 -1.061 . . . . 0.0 109.354 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -68.46 -40.55 81.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.986 -1.072 . . . . 0.0 109.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.78 97.33 Favored Glycine 0 N--CA 1.496 2.673 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.412 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -22.53 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.692 -1.475 . . . . 0.0 110.544 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 216' ' ' VAL . . . . . 0.767 HG23 ' O ' ' B' ' 212' ' ' LYS . 51.3 t -63.05 -37.8 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.07 -1.019 . . . . 0.0 110.395 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -52.47 -24.35 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.076 -1.015 . . . . 0.0 110.68 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.15 88.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.585 -1.322 . . . . 0.0 109.353 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -171.46 146.17 2.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.244 -0.91 . . . . 0.0 109.439 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.2 tp . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -108.8 156.88 19.13 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.657 0.742 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -65.63 -39.45 91.48 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.688 -0.633 . . . . 0.0 110.406 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.69 -39.08 93.43 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.71 -39.39 91.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.844 -1.16 . . . . 0.0 110.043 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.45 -39.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.635 -1.291 . . . . 0.0 109.231 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -34.68 76.75 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.896 -1.128 . . . . 0.0 109.847 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -42.37 98.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.894 -1.129 . . . . 0.0 110.477 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.58 -19.26 29.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.868 -1.145 . . . . 0.0 109.546 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.96 -42.84 97.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.802 -1.186 . . . . 0.0 109.199 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.27 -45.97 91.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.974 -1.079 . . . . 0.0 109.007 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.85 81.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.265 -0.897 . . . . 0.0 109.383 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.12 -45.67 83.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.351 -0.843 . . . . 0.0 111.241 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.8 p -62.11 -22.19 65.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.896 -1.128 . . . . 0.0 111.687 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -42.58 86.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.441 -1.412 . . . . 0.0 110.168 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -69.42 -37.56 77.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.001 -1.062 . . . . 0.0 109.45 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.7 t0 -83.52 82.78 8.15 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.605 -1.309 . . . . 0.0 109.749 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.92 -23.97 67.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.142 -0.974 . . . . 0.0 110.015 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.33 -30.23 71.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 110.457 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 5.58 87.31 Favored Glycine 0 N--CA 1.496 2.692 0 O-C-N 120.311 -1.493 . . . . 0.0 110.179 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -88.66 2.67 52.81 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.342 -1.093 . . . . 0.0 110.027 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 10.35 85.93 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.781 -1.199 . . . . 0.0 110.272 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.2 149.2 48.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.19 -1.183 . . . . 0.0 108.955 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.6 130.43 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -106.87 158.03 17.31 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -56.17 -35.49 67.27 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.109 -0.994 . . . . 0.0 110.064 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.71 -42.1 95.52 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.299 -0.875 . . . . 0.0 109.725 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.96 -42.9 89.33 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.363 -0.836 . . . . 0.0 111.404 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.22 -51.88 22.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.025 . . . . 0.0 109.9 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -39.55 96.34 Favored Glycine 0 N--CA 1.488 2.146 0 C-N-CA 119.46 -1.352 . . . . 0.0 109.859 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m -60.4 -46.53 89.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.994 -1.298 . . . . 0.0 109.396 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.08 -36.11 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.72 -1.237 . . . . 0.0 108.554 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.04 -32.58 72.19 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.927 -1.108 . . . . 0.0 108.87 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -58.74 -35.81 73.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.571 -0.706 . . . . 0.0 109.468 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.9 m -58.3 -34.19 70.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 109.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.56 16.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.259 -0.901 . . . . 0.0 108.874 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.08 39.8 98.45 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -118.5 161.46 19.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.616 -0.932 . . . . 0.0 110.118 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -141.42 68.75 26.34 Favored Pre-proline 0 C--N 1.297 -1.693 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.4 164.76 32.04 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.859 2.373 . . . . 0.0 112.802 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -107.46 163.52 12.98 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.874 0.845 . . . . 0.0 109.951 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.497 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.55 94.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.982 -1.073 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -44.24 94.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.985 -1.072 . . . . 0.0 110.254 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.36 -32.42 71.47 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.323 -0.861 . . . . 0.0 110.043 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.75 -48.51 80.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.019 -1.051 . . . . 0.0 110.07 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.2 -43.42 95.96 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -0.96 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.34 -52.07 60.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.963 -1.086 . . . . 0.0 110.69 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -38.3 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.908 -1.12 . . . . 0.0 110.362 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -58.9 -37.86 77.57 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -60.49 -37.69 81.91 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.04 -1.038 . . . . 0.0 111.861 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.17 7.59 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.988 -1.07 . . . . 0.0 111.048 -179.053 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.71 107.58 14.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.928 -1.108 . . . . 0.0 109.372 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.93 -25.54 16.5 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.286 -0.884 . . . . 0.0 110.996 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 35.1 p30 -90.87 -5.84 55.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.62 26.93 67.33 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.9 p-10 -94.0 0.2 55.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.213 -1.169 . . . . 0.0 109.834 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.28 17.64 77.63 Favored Glycine 0 N--CA 1.495 2.571 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.766 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -141.23 160.75 39.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.113 -1.228 . . . . 0.0 107.976 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -101.58 121.07 52.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.443 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 60.7 m-20 -91.83 155.85 17.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.333 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -44.99 -51.58 22.52 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.554 -0.717 . . . . 0.0 112.142 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.85 -32.93 85.65 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.204 1.466 . . . . 0.0 111.628 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.26 -43.11 95.86 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.05 -43.3 99.1 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.54 -39.45 84.02 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.771 0.796 . . . . 0.0 109.567 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.5 m -62.25 -42.8 99.65 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.2 ttp -62.82 -39.59 94.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 0.0 109.69 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.17 -43.35 95.89 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.777 -1.202 . . . . 0.0 110.232 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.96 44.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.872 -1.143 . . . . 0.0 108.715 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -54.46 -20.83 8.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.568 -0.707 . . . . 0.0 109.636 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.55 -42.27 82.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.573 ' SD ' ' N ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -61.04 -39.74 90.95 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.17 -16.9 60.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.124 -0.985 . . . . 0.0 109.538 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 53.33 45.65 28.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 -57.73 3.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.932 -1.105 . . . . 0.0 109.51 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -85.72 -13.39 48.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.127 -0.983 . . . . 0.0 108.818 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.6 m -49.15 -37.58 22.66 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -41.43 94.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.029 -1.044 . . . . 0.0 109.015 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.33 -42.4 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -67.81 -40.27 83.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.169 -0.957 . . . . 0.0 109.884 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.28 -46.29 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.507 -0.877 . . . . 0.0 108.682 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.55 -39.31 77.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.553 -1.342 . . . . 0.0 110.359 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -68.46 -39.17 81.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.861 -1.149 . . . . 0.0 110.672 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.76 70.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.334 -0.854 . . . . 0.0 110.697 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.4 t80 -58.97 -38.05 78.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 108.761 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -63.47 -37.54 87.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.658 -0.651 . . . . 0.0 109.86 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.22 -41.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.997 -1.065 . . . . 0.0 109.352 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -40.0 82.39 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.09 -1.006 . . . . 0.0 108.856 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -82.45 83.0 7.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.078 -1.013 . . . . 0.0 110.005 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 63.8 tttm -66.3 -39.85 89.6 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.556 -0.715 . . . . 0.0 111.321 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -67.66 -29.12 68.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.971 -1.081 . . . . 0.0 110.824 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.31 11.55 84.12 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 26.9 p-10 -70.6 -8.81 54.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.042 -1.269 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.22 -4.73 82.93 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 68.4 m-85 -133.11 139.96 47.39 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.7 mt -95.51 120.65 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.745 -1.222 . . . . 0.0 109.728 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -91.37 165.88 13.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.217 -0.927 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.53 97.44 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.689 -0.632 . . . . 0.0 112.057 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.7 88.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.517 -1.364 . . . . 0.0 109.678 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -62.7 -41.51 99.16 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.582 -0.699 . . . . 0.0 111.968 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.558 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.8 tt -64.14 -36.38 83.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -66.72 -34.27 77.47 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.724 -1.235 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CE1' HD21 ' A' ' 111' ' ' ASN . 23.1 t60 -58.27 -57.45 12.81 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.204 -0.935 . . . . 0.0 113.029 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.16 -39.37 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.978 -1.076 . . . . 0.0 108.742 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.558 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.9 mtp -62.75 -38.61 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.925 -1.11 . . . . 0.0 110.331 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -66.73 -40.58 88.41 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.253 -0.905 . . . . 0.0 110.937 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.516 HD21 ' CE1' ' A' ' 107' ' ' HIS . 95.4 m-20 -62.51 -21.42 65.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.32 12.45 34.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.0 109.641 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.76 20.86 79.91 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.53 143.49 40.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.585 -0.95 . . . . 0.0 109.589 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -160.56 134.09 6.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.829 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.99 -170.65 1.91 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 p -98.25 160.59 14.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.047 -1.033 . . . . 0.0 109.114 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.42 -40.48 86.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 110.112 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.46 -41.6 94.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 108.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -63.28 -44.24 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 109.863 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.02 -37.57 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.49 -47.18 85.09 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.105 -0.997 . . . . 0.0 109.978 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 110.301 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.0 ttt -59.59 -43.1 93.77 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 109.445 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.13 -40.57 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.924 . . . . 0.0 108.646 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.31 -46.23 90.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 110.378 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -66.26 -42.33 88.66 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.924 -1.11 . . . . 0.0 111.475 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.83 -16.38 59.45 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.963 -1.085 . . . . 0.0 110.538 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -70.42 93.49 0.88 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.959 -1.088 . . . . 0.0 109.595 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.19 -46.42 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.632 -0.667 . . . . 0.0 111.475 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.3 p-10 -75.05 -25.8 58.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.149 -0.969 . . . . 0.0 108.69 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.81 19.87 62.54 Favored Glycine 0 N--CA 1.479 1.547 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 57.0 p-10 -77.09 -9.3 58.64 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.331 -1.099 . . . . 0.0 109.84 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.47 -11.2 68.84 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.1 mp0 -131.26 160.67 34.22 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.346 -1.09 . . . . 0.0 108.381 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.29 124.9 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.597 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 178.45 4.48 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.939 0.876 . . . . 0.0 110.307 -178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.5 m-85 -59.66 -38.58 81.83 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.38 -50.25 74.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.51 -41.06 85.05 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.136 -0.978 . . . . 0.0 109.265 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.727 -0.608 . . . . 0.0 110.604 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.52 -43.09 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.038 -1.664 . . . . 0.0 108.29 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -64.45 -37.99 89.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.474 -0.766 . . . . 0.0 110.549 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.3 ttp . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.03 -1.044 . . . . 0.0 109.963 -179.351 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.9 tp . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -108.09 156.62 19.07 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.605 0.717 . . . . 0.0 110.621 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -65.87 -40.38 91.57 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.614 -0.679 . . . . 0.0 110.2 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -63.0 -38.54 91.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.156 -0.965 . . . . 0.0 110.185 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -60.47 -40.36 90.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 0.0 109.683 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.27 -39.09 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.863 -1.148 . . . . 0.0 109.744 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.5 74.92 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.824 -1.172 . . . . 0.0 109.821 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.09 -42.18 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.794 -1.191 . . . . 0.0 110.248 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -86.82 -17.94 32.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.954 -1.091 . . . . 0.0 109.642 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.19 -43.36 95.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.483 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.81 -43.06 98.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.223 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.05 79.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.883 . . . . 0.0 109.299 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.89 -44.83 82.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.334 -0.854 . . . . 0.0 111.318 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.09 -37.42 82.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.025 -1.047 . . . . 0.0 111.66 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -42.02 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.685 -1.259 . . . . 0.0 110.748 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -69.96 -36.96 75.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.83 -1.169 . . . . 0.0 109.561 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 26' ' ' THR . 60.8 t0 -83.69 82.94 8.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.694 -1.254 . . . . 0.0 109.278 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.28 -24.48 67.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.172 -0.955 . . . . 0.0 110.109 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.43 -30.41 71.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.48 5.53 89.23 Favored Glycine 0 N--CA 1.496 2.663 0 O-C-N 120.282 -1.511 . . . . 0.0 109.942 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -88.92 4.29 48.47 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.372 -1.075 . . . . 0.0 110.01 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.38 84.63 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.7 p -136.89 150.13 48.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -1.163 . . . . 0.0 109.244 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -103.89 131.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.6 p -111.29 159.92 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.244 0.545 . . . . 0.0 109.727 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.15 -33.23 62.76 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.345 -0.847 . . . . 0.0 110.502 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.52 -39.17 74.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 110.124 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.07 -42.11 85.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.027 -1.045 . . . . 0.0 111.056 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -56.44 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 0.0 110.659 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.76 -40.44 98.13 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.097 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -60.03 -46.58 89.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.975 -1.309 . . . . 0.0 109.418 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.56 -38.96 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.823 -1.173 . . . . 0.0 109.202 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.91 -28.82 69.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.764 -1.21 . . . . 0.0 108.84 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.08 -35.51 75.35 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.436 -0.79 . . . . 0.0 109.455 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -57.43 -35.0 69.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 0.0 108.802 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.54 20.68 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.275 -0.891 . . . . 0.0 108.786 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.2 41.8 91.75 Favored Glycine 0 N--CA 1.485 1.954 0 O-C-N 121.304 -0.872 . . . . 0.0 111.104 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -113.8 151.88 31.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.41 -1.053 . . . . 0.0 109.488 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -142.04 65.81 19.74 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.84 165.05 27.08 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.985 2.456 . . . . 0.0 112.406 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -104.08 163.83 12.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.631 0.729 . . . . 0.0 109.471 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.08 -41.94 97.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.371 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.27 93.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.004 -1.06 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.97 -43.99 94.09 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.024 -1.047 . . . . 0.0 110.402 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.19 -24.41 63.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.148 -0.97 . . . . 0.0 109.872 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -59.52 -47.7 84.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.955 -1.091 . . . . 0.0 109.389 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.39 -39.95 92.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.217 -0.927 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 ttt -60.03 -53.71 54.64 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.201 -0.937 . . . . 0.0 110.65 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.83 -36.16 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.146 -0.971 . . . . 0.0 110.584 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -58.08 -36.75 73.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.54 -0.725 . . . . 0.0 110.672 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.04 -17.26 16.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.039 -1.038 . . . . 0.0 110.888 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -135.17 24.58 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 121.113 -0.992 . . . . 0.0 111.965 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.46 100.12 12.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.395 -1.441 . . . . 0.0 108.936 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.57 -17.27 22.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.184 -0.947 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -90.28 -14.66 32.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.054 -1.029 . . . . 0.0 108.483 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.03 18.99 69.52 Favored Glycine 0 N--CA 1.483 1.78 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.12 2.05 55.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.584 -0.951 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.79 74.92 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.1 p -142.3 160.5 40.12 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.225 -1.162 . . . . 0.0 108.203 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.86 120.09 48.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.228 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -89.07 154.05 20.49 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.399 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -44.73 -54.18 13.5 Favored Pre-proline 0 C--N 1.3 -1.584 0 O-C-N 121.083 -1.011 . . . . 0.0 112.137 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.69 -32.93 97.9 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 CA-C-N 120.923 1.365 . . . . 0.0 111.509 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -64.22 -42.95 96.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.628 -1.295 . . . . 0.0 107.649 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.67 -44.72 96.41 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.467 0.651 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.97 -39.9 79.29 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.695 0.76 . . . . 0.0 109.993 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.1 m -63.81 -43.34 96.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.8 -0.563 . . . . 0.0 109.8 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 ttp -64.14 -40.23 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.573 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.92 -42.14 93.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.005 -1.06 . . . . 0.0 110.356 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.87 -24.12 48.62 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.962 -1.086 . . . . 0.0 109.049 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.29 -18.61 11.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.81 . . . . 0.0 109.907 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.51 -43.19 84.07 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.36 90.25 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -69.51 -22.75 63.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.04 -1.037 . . . . 0.0 109.228 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 53.94 46.35 25.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.394 -0.816 . . . . 0.0 110.303 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -63.43 1.34 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.04 -1.038 . . . . 0.0 109.495 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 97.8 m-20 -88.15 -12.22 44.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.045 -1.034 . . . . 0.0 108.672 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -48.21 -33.94 9.35 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.147 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.12 -41.94 98.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.899 -1.125 . . . . 0.0 108.479 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.03 -45.57 84.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.537 -0.727 . . . . 0.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 6.5 mp0 -67.44 -36.95 82.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.351 -0.843 . . . . 0.0 110.473 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.45 -44.21 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.259 -0.901 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.64 -38.25 83.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.664 -1.272 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.64 -38.3 90.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 0.0 109.85 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -29.77 34.74 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.162 -0.961 . . . . 0.0 109.265 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.7 t80 -57.85 -38.93 76.55 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.33 -40.7 98.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.548 -0.72 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -74.49 -41.42 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.093 -1.004 . . . . 0.0 109.256 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.57 -40.11 73.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.164 -0.96 . . . . 0.0 109.287 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -79.94 81.52 6.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.462 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.544 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -66.6 -42.57 86.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.703 . . . . 0.0 111.315 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -68.17 -27.03 66.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.984 -1.072 . . . . 0.0 110.822 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.01 14.05 80.56 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.015 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.543 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 37.0 p-10 -69.65 -7.28 37.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.945 -1.327 . . . . 0.0 108.863 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.99 82.89 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.543 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 64.2 m-85 -133.24 142.21 48.43 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' OE1' ' A' ' 104' ' ' GLU . 80.0 mt -95.17 120.88 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.44 -1.413 . . . . 0.0 109.598 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -94.08 165.88 12.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.27 97.1 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.702 -0.623 . . . . 0.0 111.934 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.08 89.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.521 -1.362 . . . . 0.0 109.652 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.5 tt0 -63.13 -42.08 99.44 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.585 -0.697 . . . . 0.0 111.965 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.587 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.6 tt -62.82 -35.5 80.12 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 110.937 -177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.28 -37.95 84.26 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -56.17 -56.52 19.87 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.205 -0.934 . . . . 0.0 112.717 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.61 -40.28 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.079 -1.013 . . . . 0.0 108.557 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.5 mtp -63.17 -38.96 93.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.843 -1.161 . . . . 0.0 109.832 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -66.96 -40.38 87.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.453 -0.779 . . . . 0.0 110.359 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -62.72 -22.55 66.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.203 -0.936 . . . . 0.0 110.548 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.3 mt -97.88 13.58 30.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -0.942 . . . . 0.0 109.928 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.51 18.55 79.95 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -109.19 142.24 40.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.599 -0.942 . . . . 0.0 109.41 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -157.8 131.58 7.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.887 . . . . 0.0 109.603 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -118.38 -171.07 2.01 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -99.04 161.74 13.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.081 -1.012 . . . . 0.0 109.093 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.11 -41.15 87.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -0.999 . . . . 0.0 109.984 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.41 -42.01 95.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.368 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.73 -43.46 98.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.538 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.22 -34.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.8 -43.83 94.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.106 -0.996 . . . . 0.0 109.518 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.45 -38.04 89.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.13 -0.982 . . . . 0.0 110.199 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.0 mtt -54.77 -42.16 71.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.118 -0.989 . . . . 0.0 109.625 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.88 -42.05 93.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -59.58 -46.92 87.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.868 -1.145 . . . . 0.0 110.637 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 111.622 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -0.77 57.71 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.81 -1.181 . . . . 0.0 111.204 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.03 84.31 6.51 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.697 -1.252 . . . . 0.0 110.05 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -45.73 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 111.163 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.0 p30 -76.19 -25.89 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.002 -1.061 . . . . 0.0 109.145 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.571 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.0 21.23 65.99 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.43 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 57.1 p-10 -78.88 -7.64 58.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 110.075 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.25 -11.3 68.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.6 mp0 -130.92 161.85 30.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.212 -1.17 . . . . 0.0 108.42 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.31 125.18 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.603 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.88 -178.65 3.64 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.898 0.856 . . . . 0.0 110.9 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.9 m-85 -59.43 -39.82 84.73 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.39 -50.28 74.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.412 -0.805 . . . . 0.0 109.835 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.435 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 75.7 mt-10 -67.72 -42.36 82.05 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.554 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.44 -47.56 83.5 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.756 -0.59 . . . . 0.0 111.006 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.94 -43.36 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 119.97 -1.706 . . . . 0.0 108.575 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.12 -36.92 85.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 110.762 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.7 ttp . . . . . 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 110.219 -178.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 9' ' ' ILE . 1.7 tp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -109.17 155.86 20.54 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.697 0.761 . . . . 0.0 110.874 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.13 -38.26 85.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.795 -0.566 . . . . 0.0 109.763 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.65 -41.6 99.14 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.16 -0.962 . . . . 0.0 110.5 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.84 -39.85 94.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.072 -1.018 . . . . 0.0 110.543 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.476 HD11 HD23 ' A' ' 4' ' ' LEU . 70.5 mt -59.98 -39.91 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.443 -1.411 . . . . 0.0 109.376 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.26 75.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.878 -1.139 . . . . 0.0 109.867 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.89 -41.55 96.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 110.232 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -85.67 -19.15 31.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.927 -1.108 . . . . 0.0 109.202 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.65 -41.84 95.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.838 -1.164 . . . . 0.0 109.236 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.97 -43.14 99.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.916 -1.115 . . . . 0.0 109.092 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.15 80.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.195 -0.941 . . . . 0.0 109.167 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.28 -44.92 84.45 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.736 . . . . 0.0 111.378 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -60.93 -37.17 81.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.039 -1.038 . . . . 0.0 112.005 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -42.98 69.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.296 . . . . 0.0 110.656 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -67.25 -37.85 84.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.787 -1.195 . . . . 0.0 109.165 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 26' ' ' THR . 33.2 t70 -85.73 86.22 7.37 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.469 -1.394 . . . . 0.0 110.009 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.03 -38.28 88.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.483 -0.761 . . . . 0.0 111.369 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.2 p30 -64.33 -24.01 67.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.711 -1.243 . . . . 0.0 110.427 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.74 18.37 78.74 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD2' ' OD2' ' A' ' 22' ' ' ASP . 58.5 p-10 -80.94 -0.56 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.122 -1.223 . . . . 0.0 109.474 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.75 90.22 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.4 p -134.9 146.31 49.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.041 . . . . 0.0 108.444 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.6 mt -99.27 132.25 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 109.347 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -109.34 158.66 17.69 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.379 0.609 . . . . 0.0 110.485 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 p -57.76 -35.53 70.88 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.404 -0.81 . . . . 0.0 110.685 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.16 -39.61 86.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.036 -1.04 . . . . 0.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 98.1 mt-10 -66.23 -40.97 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.367 -0.833 . . . . 0.0 111.003 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.63 -53.35 16.2 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.267 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.61 99.18 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.542 -1.313 . . . . 0.0 109.891 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -59.98 -46.61 88.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -1.226 . . . . 0.0 109.131 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.6 -38.03 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.784 -1.197 . . . . 0.0 108.974 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.6 ttp -66.27 -29.33 69.54 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.753 -1.217 . . . . 0.0 108.651 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.12 -37.99 81.7 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.807 . . . . 0.0 109.625 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.9 m -57.66 -32.41 67.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.189 -0.945 . . . . 0.0 108.851 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -68.45 19.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.81 38.39 95.51 Favored Glycine 0 N--CA 1.485 1.935 0 O-C-N 121.05 -1.032 . . . . 0.0 111.002 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -111.16 154.87 23.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.467 -1.02 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -138.51 69.74 45.84 Favored Pre-proline 0 C--N 1.296 -1.734 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.95 163.41 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.899 2.4 . . . . 0.0 113.084 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -106.8 164.04 12.44 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.748 0.785 . . . . 0.0 109.151 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.83 95.17 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.345 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.8 95.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.915 -1.116 . . . . 0.0 110.346 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.08 -45.83 86.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.982 -1.074 . . . . 0.0 110.308 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.36 -34.29 76.99 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.378 -0.826 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -58.55 -47.7 83.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.004 . . . . 0.0 109.328 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.55 -39.54 93.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 110.355 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 35.4 mtt -59.0 -51.22 71.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.852 -1.155 . . . . 0.0 110.322 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.51 -35.98 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.071 -1.018 . . . . 0.0 111.006 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -55.91 -32.99 64.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.817 . . . . 0.0 110.313 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -62.37 -20.07 64.04 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 111.805 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -133.68 28.83 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 O-C-N 120.939 -1.101 . . . . 0.0 111.557 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -92.14 103.07 15.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.797 -1.189 . . . . 0.0 108.671 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 -27.78 15.86 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.028 -1.045 . . . . 0.0 110.577 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p30 -85.65 -13.02 49.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.842 -1.161 . . . . 0.0 109.033 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.72 22.95 72.18 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -93.81 1.52 56.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.378 -1.072 . . . . 0.0 110.078 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 19.32 76.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.438 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.0 p -140.55 162.23 35.85 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.3 mt -103.93 120.91 54.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.94 153.86 19.87 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.4 t80 -45.05 -51.69 22.55 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.312 -0.868 . . . . 0.0 111.871 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.74 -33.08 96.47 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.926 1.367 . . . . 0.0 111.345 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.63 -44.14 91.45 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.602 -1.311 . . . . 0.0 107.659 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -60.95 -43.89 98.07 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.615 0.722 . . . . 0.0 110.077 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.09 -39.8 83.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.693 0.759 . . . . 0.0 109.672 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.65 -43.68 98.4 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 ttp -63.21 -40.2 96.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.74 -43.77 94.08 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.912 -1.117 . . . . 0.0 110.504 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.64 -24.2 45.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.96 -1.088 . . . . 0.0 108.793 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.58 -18.25 7.18 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.465 -0.772 . . . . 0.0 109.729 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -57.39 -45.9 84.03 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 3.7 mpp? -64.0 -44.12 93.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.065 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -71.24 -37.78 71.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.077 . . . . 0.0 109.997 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 t0 57.79 56.18 4.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.482 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -67.04 0.85 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.193 -0.942 . . . . 0.0 109.779 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.74 -25.41 21.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 108.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.8 t -49.47 -30.29 7.96 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.66 -45.28 89.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 108.761 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.91 -41.11 95.47 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.529 -0.732 . . . . 0.0 109.859 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.56 -20.15 60.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.044 -1.035 . . . . 0.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -41.67 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 109.027 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.88 -38.45 91.02 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.467 -1.396 . . . . 0.0 110.242 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.92 -36.45 84.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.875 -1.141 . . . . 0.0 109.572 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.58 -31.74 62.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 109.572 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 41.5 t80 -55.28 -37.54 67.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.049 -1.032 . . . . 0.0 108.384 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -62.35 -40.8 97.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.44 -0.787 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -39.62 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -73.64 -42.24 61.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.18 82.94 7.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 109.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -65.93 -42.86 89.55 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.645 -0.66 . . . . 0.0 111.434 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -67.96 -26.68 66.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.909 -1.12 . . . . 0.0 110.877 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.49 15.12 80.55 Favored Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.548 -1.31 . . . . 0.0 109.869 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.536 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 36.1 p-10 -70.33 -8.73 52.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.298 . . . . 0.0 109.069 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.33 -7.22 81.84 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.536 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 76.0 m-85 -132.38 137.51 47.37 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.8 mt -91.18 122.24 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.301 -1.499 . . . . 0.0 109.789 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p -94.55 166.13 12.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.206 -0.934 . . . . 0.0 110.531 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.75 97.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.743 -0.598 . . . . 0.0 111.693 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.54 91.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.54 -1.35 . . . . 0.0 109.583 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.7 tt0 -63.04 -41.61 99.55 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.544 -0.723 . . . . 0.0 111.608 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.56 HD23 ' SD ' ' A' ' 109' ' ' MET . 2.7 tt -64.84 -37.85 89.02 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.981 -1.074 . . . . 0.0 111.307 -177.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.23 -37.42 87.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.835 -1.166 . . . . 0.0 110.725 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.63 -56.59 19.98 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.33 -0.856 . . . . 0.0 112.543 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.99 -39.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.241 -0.912 . . . . 0.0 109.022 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.56 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.6 mtp -62.44 -38.17 88.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.972 -1.08 . . . . 0.0 110.446 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.0 m -64.8 -40.51 95.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.247 -0.908 . . . . 0.0 110.46 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.58 -23.21 67.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 110.638 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.8 mt -94.87 9.7 38.18 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.154 -0.966 . . . . 0.0 109.773 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.92 18.5 80.16 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.27 143.17 40.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.605 -0.938 . . . . 0.0 109.47 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -157.76 130.99 7.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.0 109.684 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.39 -170.28 1.78 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.2 p -100.67 161.46 13.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.086 -1.009 . . . . 0.0 109.16 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.99 -40.71 85.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.189 -0.944 . . . . 0.0 110.087 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.18 -41.85 93.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 108.989 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.27 -37.7 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.09 -47.35 86.7 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.058 -1.026 . . . . 0.0 109.867 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.69 -38.4 89.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ttt -59.02 -43.67 91.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.969 -1.082 . . . . 0.0 109.165 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.64 -39.12 83.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 108.798 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.1 -47.33 86.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.75 -40.19 72.85 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.013 -1.054 . . . . 0.0 112.184 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 -20.81 59.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.867 -1.145 . . . . 0.0 110.643 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -68.57 97.96 0.83 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.947 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -45.56 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.572 -0.705 . . . . 0.0 111.085 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.7 p-10 -75.02 -25.13 58.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 108.749 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.5 19.78 57.79 Favored Glycine 0 N--CA 1.48 1.63 0 C-N-CA 119.515 -1.326 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -80.26 -5.18 55.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.294 -1.121 . . . . 0.0 110.064 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.76 -0.67 81.4 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -137.55 154.54 49.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.412 -1.052 . . . . 0.0 108.424 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.65 122.31 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.36 -175.38 2.76 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.833 0.825 . . . . 0.0 110.327 -177.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.4 m-85 -61.21 -39.77 91.46 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.85 -51.03 71.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.303 -0.873 . . . . 0.0 109.896 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 59.6 mt-10 -67.39 -41.19 85.39 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.114 -0.992 . . . . 0.0 109.343 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -62.49 -47.75 82.61 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.725 -0.609 . . . . 0.0 110.554 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.29 -42.38 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.154 -1.591 . . . . 0.0 108.248 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -69.62 -36.48 76.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 112.221 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.497 1.914 0 O-C-N 120.813 -1.179 . . . . 0.0 110.844 -177.656 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 4' ' ' LEU . 8.5 tp . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.8 p -108.03 156.5 19.18 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.575 0.703 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.02 -42.17 94.65 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.625 -0.672 . . . . 0.0 110.273 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -62.69 -33.57 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.118 -0.989 . . . . 0.0 110.551 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.03 -41.21 97.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.304 -0.873 . . . . 0.0 109.409 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.99 -39.82 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.926 -1.108 . . . . 0.0 109.815 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.42 74.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.152 . . . . 0.0 109.749 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.984 -1.072 . . . . 0.0 110.24 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.9 -18.22 31.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.837 -1.164 . . . . 0.0 109.647 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -63.55 -43.54 96.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.744 -1.222 . . . . 0.0 109.323 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.62 -45.82 92.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.138 -0.976 . . . . 0.0 109.031 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.17 83.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.343 -0.848 . . . . 0.0 109.423 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.5 -45.6 84.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.334 -0.853 . . . . 0.0 111.095 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.1 p -62.84 -21.89 66.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.897 -1.127 . . . . 0.0 111.676 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -41.56 88.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.457 -1.402 . . . . 0.0 110.074 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.52 -36.56 73.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.058 -1.026 . . . . 0.0 109.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 26' ' ' THR . 56.3 t0 -82.55 83.26 7.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.657 -1.277 . . . . 0.0 109.654 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.53 -25.53 68.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.29 -0.881 . . . . 0.0 110.06 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.19 -28.62 70.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.142 -0.974 . . . . 0.0 110.461 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 6.34 86.28 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 120.374 -1.454 . . . . 0.0 110.126 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -88.94 3.81 50.18 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.285 -1.127 . . . . 0.0 109.911 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.58 86.86 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.815 -1.183 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 80.8 p -136.0 150.35 49.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -1.11 . . . . 0.0 108.967 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.84 130.71 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -108.06 157.49 18.21 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.232 0.539 . . . . 0.0 109.701 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -55.38 -35.44 65.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.035 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.81 -41.62 91.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.95 -41.61 91.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 111.551 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -55.75 7.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 0.0 110.506 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.3 96.74 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.48 -1.343 . . . . 0.0 109.965 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -46.96 88.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.121 -1.223 . . . . 0.0 110.046 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.19 -38.31 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.638 -1.289 . . . . 0.0 109.327 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.3 ttp -63.96 -34.64 78.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -55.38 -33.95 63.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.5 m -59.33 -35.89 74.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 108.88 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -66.72 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 69.03 35.6 78.99 Favored Glycine 0 N--CA 1.485 1.9 0 O-C-N 121.184 -0.947 . . . . 0.0 111.55 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -114.29 156.48 24.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -1.108 . . . . 0.0 109.747 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.0 p30 -143.07 71.9 18.42 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.738 -0.601 . . . . 0.0 109.894 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -76.53 163.39 32.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.827 2.351 . . . . 0.0 112.926 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -103.74 169.24 8.64 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.608 0.718 . . . . 0.0 109.576 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.0 -42.24 93.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.597 -0.69 . . . . 0.0 110.275 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 96.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.084 -1.01 . . . . 0.0 110.604 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.34 -45.28 88.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.595 -1.315 . . . . 0.0 109.761 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.16 -38.15 87.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.464 -0.773 . . . . 0.0 110.695 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -59.85 -46.82 88.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.893 -1.129 . . . . 0.0 109.682 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -61.07 -43.95 98.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.206 -0.934 . . . . 0.0 110.39 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 mtt -60.78 -55.22 35.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 111.111 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -38.56 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.914 -1.116 . . . . 0.0 110.591 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -57.43 -34.97 69.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.62 -18.52 42.15 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.213 -0.929 . . . . 0.0 111.739 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -133.06 23.74 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 120.99 -1.069 . . . . 0.0 111.878 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.18 103.58 16.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.604 -1.31 . . . . 0.0 108.453 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 -24.67 17.54 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.009 -1.057 . . . . 0.0 110.872 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 19.5 p30 -89.52 -7.89 53.96 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.75 -1.219 . . . . 0.0 108.909 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.15 24.07 68.49 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.6 p30 -94.44 2.06 55.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.42 -1.047 . . . . 0.0 110.08 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.87 21.21 75.05 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -141.41 160.02 41.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.126 -1.22 . . . . 0.0 107.994 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.3 mt -100.63 121.46 51.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.41 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -91.19 155.04 18.89 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.84 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.2 t80 -45.82 -52.78 23.52 Favored Pre-proline 0 C--N 1.299 -1.603 0 O-C-N 121.338 -0.851 . . . . 0.0 111.978 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.42 -33.62 97.4 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 120.824 1.33 . . . . 0.0 111.379 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.27 -43.39 94.99 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.03 -45.52 93.22 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.638 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.72 -41.0 80.89 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.787 0.803 . . . . 0.0 109.691 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -63.3 -42.75 99.09 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.5 ttp -63.19 -42.02 99.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.247 -0.908 . . . . 0.0 109.382 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 110.483 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 -25.02 48.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.891 -1.131 . . . . 0.0 108.957 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -51.57 -17.79 0.94 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.362 -0.836 . . . . 0.0 108.928 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 63.4 tttm -58.99 -42.41 89.98 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -62.3 -39.36 92.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.798 -0.564 . . . . 0.0 109.68 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.51 -12.73 60.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.011 -1.056 . . . . 0.0 109.8 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 96.2 m-20 52.41 44.53 29.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 110.467 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -60.04 2.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.89 -1.131 . . . . 0.0 109.41 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.93 -10.91 54.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 108.548 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 m -48.57 -37.62 18.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.7 -43.44 98.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.568 -1.332 . . . . 0.0 109.572 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.21 -41.57 73.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.257 -0.902 . . . . 0.0 112.753 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.3 -31.71 65.95 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.498 -1.376 . . . . 0.0 110.613 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.25 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.113 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.84 -38.4 88.8 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.662 -1.274 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.73 -38.71 91.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.15 -35.55 69.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.23 -0.919 . . . . 0.0 110.311 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 36.9 t80 -58.59 -39.42 80.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.886 -1.134 . . . . 0.0 108.662 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.6 -40.02 95.59 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.673 -0.642 . . . . 0.0 110.218 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.91 -41.84 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.12 -0.987 . . . . 0.0 109.39 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -70.7 -41.1 72.42 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.651 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -83.49 85.83 7.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.835 -1.166 . . . . 0.0 110.264 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.574 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -67.14 -39.63 86.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.678 -0.639 . . . . 0.0 111.434 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.68 -29.25 68.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.971 -1.08 . . . . 0.0 110.9 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.16 84.71 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.391 -1.385 . . . . 0.0 109.655 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.9 p-10 -69.32 -7.13 34.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.076 -1.249 . . . . 0.0 109.284 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.11 -3.51 85.66 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 62.6 m-85 -134.34 140.93 46.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.6 mt -95.95 122.02 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.841 -1.162 . . . . 0.0 109.829 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -95.11 167.06 11.61 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.238 -0.914 . . . . 0.0 110.96 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.08 98.13 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.74 -0.6 . . . . 0.0 112.193 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -38.25 90.38 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.4 -1.437 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.574 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -63.38 -41.87 98.81 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.647 -0.658 . . . . 0.0 112.042 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.4 tt -64.13 -36.48 84.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.031 -1.043 . . . . 0.0 111.633 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -67.18 -33.96 76.51 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.733 -1.23 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CE1' HD21 ' A' ' 111' ' ' ASN . 21.2 t60 -57.77 -57.41 12.86 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.17 -0.956 . . . . 0.0 112.829 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.71 -39.41 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.086 -1.009 . . . . 0.0 108.895 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.569 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.9 mtp -62.55 -38.82 91.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.966 -1.084 . . . . 0.0 110.446 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -66.99 -40.11 87.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.215 -0.928 . . . . 0.0 110.988 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.509 HD21 ' CE1' ' A' ' 107' ' ' HIS . 97.3 m-20 -62.41 -21.52 65.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.74 12.82 30.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.254 -0.904 . . . . 0.0 109.893 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -112.5 144.42 42.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.59 -0.947 . . . . 0.0 109.401 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -157.64 133.3 9.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.914 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -119.53 -172.54 2.34 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -99.81 162.69 12.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.121 -0.987 . . . . 0.0 109.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.68 -39.87 85.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 110.126 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.19 -41.81 97.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.255 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.33 -43.46 97.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -0.854 . . . . 0.0 109.728 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.06 -36.91 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.77 -47.18 87.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.037 -1.04 . . . . 0.0 109.998 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 65.5 mm-40 -64.35 -38.74 92.09 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.198 -0.939 . . . . 0.0 110.495 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.9 mtt -60.78 -40.5 92.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 108.987 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.76 -40.99 79.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.65 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 46.1 ttp180 -60.69 -47.22 87.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.934 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.56 -40.11 73.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.943 -1.098 . . . . 0.0 111.888 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.41 60.14 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.848 -1.157 . . . . 0.0 111.204 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.05 97.37 0.68 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.902 -1.124 . . . . 0.0 110.219 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -48.09 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.0 111.493 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.2 p-10 -74.12 -25.83 59.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.073 -1.017 . . . . 0.0 108.709 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.31 19.51 58.64 Favored Glycine 0 N--CA 1.481 1.636 0 C-N-CA 119.491 -1.338 . . . . 0.0 110.099 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.4 p30 -78.67 -8.98 59.22 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.293 -1.121 . . . . 0.0 110.025 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.0 -9.12 75.84 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.035 -1.078 . . . . 0.0 110.53 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.0 mp0 -131.19 157.19 43.85 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.193 -1.181 . . . . 0.0 108.699 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.36 123.89 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.587 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.65 179.87 4.06 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.068 0.937 . . . . 0.0 110.779 -177.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 10.5 m-85 -60.06 -39.6 86.58 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.27 -49.36 78.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.91 . . . . 0.0 109.776 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.89 -39.98 79.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.242 -0.911 . . . . 0.0 109.319 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -67.56 -42.05 83.24 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.882 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.86 -38.76 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 119.99 -1.694 . . . . 0.0 108.492 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -60.65 -38.57 85.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.751 . . . . 0.0 111.233 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.501 2.105 0 O-C-N 120.94 -1.1 . . . . 0.0 111.173 -177.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -107.91 157.33 18.28 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.965 0.888 . . . . 0.0 111.305 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.25 -35.36 77.05 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.813 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -58.96 -42.15 89.18 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.123 -0.985 . . . . 0.0 109.582 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.64 -42.23 98.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.932 -1.105 . . . . 0.0 110.454 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.38 -44.65 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.686 -1.259 . . . . 0.0 109.812 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.98 -37.81 88.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.058 -1.026 . . . . 0.0 110.287 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.04 -43.44 98.83 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.828 -1.17 . . . . 0.0 110.822 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.07 -29.44 20.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.06 -44.83 95.83 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.082 -1.011 . . . . 0.0 109.297 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.39 -46.78 88.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.395 -0.816 . . . . 0.0 109.073 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.04 -33.61 70.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.448 -0.782 . . . . 0.0 110.261 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.05 -47.23 83.74 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.179 -0.951 . . . . 0.0 111.615 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.7 p -62.89 -21.41 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.839 -1.163 . . . . 0.0 111.102 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -39.79 84.53 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.717 -1.24 . . . . 0.0 109.573 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.42 -38.85 78.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.032 -1.043 . . . . 0.0 109.46 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 49.1 t0 -83.29 83.06 8.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.766 -1.209 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -63.92 -26.81 68.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.271 -0.893 . . . . 0.0 109.783 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.48 -25.26 68.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.0 109.823 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 13.48 78.51 Favored Glycine 0 N--CA 1.497 2.758 0 O-C-N 120.649 -1.282 . . . . 0.0 110.472 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -91.32 3.16 55.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.192 -1.181 . . . . 0.0 109.931 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.74 88.26 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.209 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.5 p -135.37 150.23 49.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -1.151 . . . . 0.0 109.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.91 130.55 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 p -108.0 157.89 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.339 0.59 . . . . 0.0 109.726 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -54.77 -35.1 63.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.185 -0.947 . . . . 0.0 110.54 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -68.01 -39.4 83.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.048 -1.033 . . . . 0.0 109.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.86 -41.93 91.02 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.159 -0.963 . . . . 0.0 111.216 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -56.77 5.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.91 99.19 Favored Glycine 0 N--CA 1.486 1.98 0 C-N-CA 119.248 -1.453 . . . . 0.0 110.027 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.581 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 90.9 m -59.21 -46.28 88.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.666 -1.491 . . . . 0.0 109.265 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.47 -38.73 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.691 -1.256 . . . . 0.0 109.604 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.95 -37.75 86.82 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.633 -1.292 . . . . 0.0 109.324 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' NH2' ' N ' ' A' ' 34' ' ' THR . 78.1 mtm-85 -58.45 -34.11 70.47 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.597 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.5 m -55.18 -34.02 63.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 108.507 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 23.25 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.597 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.51 51.46 51.94 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -126.6 157.67 38.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.502 -0.999 . . . . 0.0 109.989 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -141.09 75.15 24.24 Favored Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.51 162.63 27.54 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.942 2.428 . . . . 0.0 112.802 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 p -105.24 162.13 13.68 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.855 0.836 . . . . 0.0 109.732 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.16 94.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.685 -0.635 . . . . 0.0 110.349 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.54 94.95 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 110.116 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.68 -46.45 85.51 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 110.127 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.34 -37.55 83.44 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.286 -0.884 . . . . 0.0 110.297 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -59.77 -45.4 92.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.937 -1.102 . . . . 0.0 109.298 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.85 -44.21 94.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 110.236 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.34 -58.59 7.96 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.942 -1.099 . . . . 0.0 110.717 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -37.31 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.22 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.9 -37.64 74.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.334 -0.854 . . . . 0.0 110.728 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.89 -20.51 63.82 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 111.708 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -128.01 24.43 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.038 -1.039 . . . . 0.0 111.23 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.6 t0 -90.07 99.85 12.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.767 -1.208 . . . . 0.0 108.916 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.89 17.71 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.26 -0.9 . . . . 0.0 110.509 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 32.0 p30 -92.93 -7.54 45.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.04 -1.038 . . . . 0.0 109.186 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.7 26.0 68.05 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.9 0.38 54.71 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.342 -1.093 . . . . 0.0 109.781 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.84 20.91 74.81 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.466 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 69.6 p -141.78 160.97 39.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.218 -1.166 . . . . 0.0 108.021 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.9 mt -100.33 122.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.296 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 67.5 m-20 -94.16 159.29 15.21 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -49.65 -45.34 78.78 Favored Pre-proline 0 C--N 1.304 -1.397 0 O-C-N 121.141 -0.975 . . . . 0.0 111.496 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.58 -38.91 47.9 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 CA-C-N 120.894 1.355 . . . . 0.0 110.976 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -44.74 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.06 -45.68 92.44 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.627 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.65 -39.61 84.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.093 0.949 . . . . 0.0 109.366 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -63.85 -42.69 97.51 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.407 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.83 -41.36 97.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -60.9 -41.05 95.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.411 -0.806 . . . . 0.0 110.809 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.75 -23.89 59.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.834 -1.166 . . . . 0.0 108.391 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -51.67 -18.61 1.24 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.478 -0.764 . . . . 0.0 109.343 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.4 -45.31 88.6 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.9 mpt? -62.4 -42.14 99.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.82 . . . . 0.0 109.619 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.58 -40.82 97.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.923 -1.111 . . . . 0.0 109.824 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.6 t0 60.21 56.18 3.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.656 -0.653 . . . . 0.0 109.565 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -73.01 0.6 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.218 -0.926 . . . . 0.0 109.652 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -83.11 -15.81 49.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.953 -1.092 . . . . 0.0 108.621 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -49.12 -31.99 9.12 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.49 -43.73 98.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.998 -1.064 . . . . 0.0 109.049 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -66.21 -41.4 90.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.502 -0.749 . . . . 0.0 109.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -70.16 -36.14 74.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.259 -0.901 . . . . 0.0 110.052 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 mt -61.27 -40.5 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.0 109.313 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.07 -37.78 86.65 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.809 -1.182 . . . . 0.0 109.817 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.96 -39.39 94.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.769 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.49 41.16 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.142 -0.973 . . . . 0.0 108.993 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -55.3 -40.3 70.92 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.97 -39.24 93.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.88 -40.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.162 -0.961 . . . . 0.0 110.044 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -71.21 -42.1 69.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.185 -0.947 . . . . 0.0 110.549 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -89.14 85.89 6.76 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.82 -1.175 . . . . 0.0 109.85 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.514 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 63.7 pttt -73.53 -22.4 60.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 110.388 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.4 -29.08 67.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.19 -0.944 . . . . 0.0 110.532 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.58 5.0 88.06 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.1 p-10 -69.62 -9.75 55.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.274 . . . . 0.0 109.316 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 4.43 79.73 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.438 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.3 m-85 -138.5 144.74 40.13 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.03 123.77 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 120.794 -1.191 . . . . 0.0 108.827 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.9 p -97.39 167.01 11.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.88 95.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.612 -0.68 . . . . 0.0 111.642 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.56 84.79 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.396 -1.44 . . . . 0.0 109.629 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.42 -42.27 98.48 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.153 -0.967 . . . . 0.0 111.948 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.31 -34.31 77.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.882 -1.136 . . . . 0.0 110.782 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -66.81 -34.27 77.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.032 -1.043 . . . . 0.0 110.676 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.514 ' CD2' ' NZ ' ' A' ' 94' ' ' LYS . 6.9 t60 -65.8 -58.54 5.4 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.41 -44.57 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.231 -0.918 . . . . 0.0 110.234 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 109' ' ' MET . 4.5 ppp? -65.23 -23.83 67.17 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.55 -1.343 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.565 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 94.2 m -70.56 -40.65 73.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.658 -1.276 . . . . 0.0 110.084 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -66.9 -20.5 65.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.374 -0.829 . . . . 0.0 110.443 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.29 7.85 38.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.987 -1.071 . . . . 0.0 109.887 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.39 79.35 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.185 -1.007 . . . . 0.0 110.778 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.4 135.43 37.04 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.114 -1.227 . . . . 0.0 109.343 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.565 ' NZ ' HG23 ' A' ' 110' ' ' THR . 22.3 mmtm -132.21 101.33 5.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.607 -0.683 . . . . 0.0 110.233 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mp -107.05 173.59 6.26 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.9 p -101.02 163.97 12.03 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.3 -0.875 . . . . 0.0 108.77 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.61 -38.67 81.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.088 -1.008 . . . . 0.0 109.649 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.03 -41.12 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.122 -0.986 . . . . 0.0 109.175 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.5 -43.12 99.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.249 -0.907 . . . . 0.0 109.419 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.63 -36.12 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.27 -45.35 94.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.091 -1.006 . . . . 0.0 110.177 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.46 -38.59 91.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.041 -1.037 . . . . 0.0 110.342 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.4 mtt -61.07 -39.56 90.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.205 -0.934 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.89 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 108.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.56 -45.22 94.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.932 -1.105 . . . . 0.0 110.625 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.29 -39.3 92.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.154 -0.966 . . . . 0.0 111.589 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -85.95 -5.96 59.14 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.787 -1.196 . . . . 0.0 110.82 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -81.63 88.97 6.2 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.847 -1.158 . . . . 0.0 110.136 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.93 -44.69 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.342 -0.849 . . . . 0.0 111.44 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.3 p-10 -77.79 -24.28 48.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.107 . . . . 0.0 109.015 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.552 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.28 22.9 58.08 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -77.43 -10.54 59.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.362 -1.081 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.81 -11.2 69.6 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.424 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 9.8 mp0 -130.91 166.22 21.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.309 -1.112 . . . . 0.0 108.47 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.82 124.48 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.601 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.54 -179.29 3.83 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.964 0.887 . . . . 0.0 110.436 -178.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.6 m-85 -59.08 -39.3 81.7 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.49 -50.45 73.52 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.394 -0.816 . . . . 0.0 109.63 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -68.56 -40.64 80.52 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.969 -1.082 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.89 -46.93 85.55 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.772 -0.58 . . . . 0.0 110.899 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.97 -42.27 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 119.942 -1.724 . . . . 0.0 107.674 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -62.19 -39.8 93.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 110.77 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 26.6 ttp . . . . . 0 C--N 1.299 -1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.832 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 4' ' ' LEU . 9.3 tp . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -109.22 157.13 19.1 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.595 0.712 . . . . 0.0 110.497 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 3.7 pm0 -65.38 -29.45 70.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.53 -0.731 . . . . 0.0 110.415 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.66 -37.75 76.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.124 -0.985 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.68 -40.3 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.14 -0.975 . . . . 0.0 110.105 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.03 -40.06 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.818 -1.176 . . . . 0.0 109.49 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.74 79.1 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.94 -1.1 . . . . 0.0 109.593 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.96 -44.11 97.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.979 -1.076 . . . . 0.0 110.705 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.3 -21.08 25.96 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.845 -1.16 . . . . 0.0 109.857 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.47 -43.47 97.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.797 -1.19 . . . . 0.0 109.047 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.52 -45.8 92.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 0.0 108.879 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.49 84.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.138 -0.976 . . . . 0.0 109.27 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.32 -45.22 84.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.251 -0.906 . . . . 0.0 110.869 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.88 -22.73 66.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.975 -1.078 . . . . 0.0 111.705 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -43.02 83.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.361 -1.462 . . . . 0.0 110.056 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.64 -38.07 77.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.003 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 52.3 t0 -83.83 81.04 8.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.823 -1.173 . . . . 0.0 109.718 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.03 -22.12 66.42 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.209 -0.932 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.12 -30.69 71.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.398 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.2 4.26 88.82 Favored Glycine 0 N--CA 1.496 2.664 0 O-C-N 120.362 -1.462 . . . . 0.0 110.096 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -87.86 3.07 49.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -1.125 . . . . 0.0 109.852 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 11.57 85.08 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.478 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 64.9 p -137.36 149.84 47.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -1.16 . . . . 0.0 108.914 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 130.48 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 121.789 0.804 . . . . 0.0 108.926 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.4 p -109.31 159.08 17.26 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -56.82 -35.03 68.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.24 -0.913 . . . . 0.0 110.145 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.81 -42.22 95.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.92 . . . . 0.0 109.846 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 42.4 mt-10 -64.98 -43.81 91.41 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.404 -0.81 . . . . 0.0 111.159 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -50.91 27.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.142 -0.974 . . . . 0.0 109.549 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.24 97.27 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.234 -1.46 . . . . 0.0 110.126 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.1 m -59.8 -46.63 88.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.835 -1.391 . . . . 0.0 109.713 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.89 -32.33 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.848 -1.158 . . . . 0.0 108.653 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 ttt -60.75 -33.54 73.08 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.935 -1.103 . . . . 0.0 109.453 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -59.71 -30.23 68.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -58.34 -37.41 75.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.92 13.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 0.0 108.903 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 62.74 41.57 99.82 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.222 -0.99 . . . . 0.0 110.862 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -114.99 160.8 19.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.472 -1.017 . . . . 0.0 109.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -141.5 68.64 25.8 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.706 -0.621 . . . . 0.0 109.477 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -77.28 166.09 26.77 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 123.099 2.533 . . . . 0.0 112.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -102.78 160.83 14.24 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.772 0.796 . . . . 0.0 109.797 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.79 -42.83 98.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.76 -0.588 . . . . 0.0 110.7 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.835 -1.166 . . . . 0.0 110.127 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.78 -44.23 94.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.83 -1.169 . . . . 0.0 110.256 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.17 -37.66 84.1 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.317 -0.865 . . . . 0.0 109.487 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.78 HE22 HD21 ' A' ' 53' ' ' ASN . 18.0 tm0? -60.6 -40.25 91.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 108.511 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -62.17 -43.55 98.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.84 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.1 mtt -60.1 -51.08 71.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.895 -1.128 . . . . 0.0 110.319 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.24 -34.67 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.985 -1.072 . . . . 0.0 109.625 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.78 HD21 HE22 ' A' ' 49' ' ' GLN . 21.1 m-20 -55.87 -26.08 45.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.937 -1.102 . . . . 0.0 110.214 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.93 -26.52 68.24 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.959 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 55' ' ' VAL . 12.9 p -135.66 37.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.002 -1.061 . . . . 0.0 111.547 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -94.8 104.22 16.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.71 -1.244 . . . . 0.0 109.196 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.87 -24.44 17.73 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.048 -1.032 . . . . 0.0 110.525 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.0 p30 -92.43 -10.01 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.214 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.77 25.66 69.28 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -96.5 2.83 52.84 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.379 -1.071 . . . . 0.0 110.598 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.63 21.34 74.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.486 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.3 p -141.01 161.48 37.75 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.81 122.66 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -89.2 153.15 21.16 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.879 -1.129 . . . . 0.0 108.021 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -47.09 -46.53 54.92 Favored Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 111.597 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.2 -36.99 77.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 CA-C-N 121.151 1.447 . . . . 0.0 111.045 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.18 -43.37 98.98 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 32.4 t80 -60.98 -44.73 96.94 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.662 0.744 . . . . 0.0 110.379 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.23 -41.68 93.63 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.779 0.799 . . . . 0.0 110.037 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.3 m -61.07 -42.59 98.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.3 ttp -63.67 -37.12 86.15 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.831 -0.747 . . . . 0.0 109.23 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 68' ' ' PHE . 2.4 mtp -59.97 -43.48 95.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.038 -1.038 . . . . 0.0 109.855 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.23 -22.74 47.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.777 -1.202 . . . . 0.0 108.837 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 63.5 ttm-85 -59.67 -21.84 61.11 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.599 -0.688 . . . . 0.0 110.463 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.6 -42.86 75.44 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.092 -1.005 . . . . 0.0 108.362 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 2.0 mpt? -60.77 -38.51 85.5 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.82 -22.43 62.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.149 -0.97 . . . . 0.0 109.392 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 82' ' ' GLU . 13.4 t70 58.35 55.13 5.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 109.889 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.431 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -91.97 -65.1 1.03 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.0 -1.063 . . . . 0.0 109.768 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -83.04 -12.24 57.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.976 -1.077 . . . . 0.0 108.162 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -48.8 -37.58 19.59 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 78' ' ' ASP . 58.3 mp0 -61.28 -41.47 97.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 109.214 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.19 -45.71 87.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.127 -0.983 . . . . 0.0 109.784 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.56 -39.83 84.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -0.943 . . . . 0.0 110.556 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.2 -46.18 97.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.6 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -67.71 -39.0 84.39 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.581 -1.325 . . . . 0.0 110.018 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -68.03 -38.99 83.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.949 -1.095 . . . . 0.0 110.115 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.16 62.39 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.237 -0.914 . . . . 0.0 110.079 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.1 t80 -57.36 -40.59 78.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 108.913 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.88 -39.48 94.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.555 -0.715 . . . . 0.0 110.179 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.36 -40.0 63.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.305 -0.872 . . . . 0.0 109.681 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.2 -42.76 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.141 -0.974 . . . . 0.0 110.43 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -88.61 86.09 6.94 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.861 -1.149 . . . . 0.0 110.328 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -76.82 -23.09 52.79 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.058 -1.026 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 96.4 m-20 -68.54 -29.67 68.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.952 -1.093 . . . . 0.0 110.536 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.41 5.6 87.78 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.1 p-10 -69.55 -8.24 45.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.786 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.59 -2.18 86.04 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.8 m-85 -132.86 140.84 48.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -94.14 130.91 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.961 -1.087 . . . . 0.0 109.924 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 p -107.3 165.97 10.99 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.982 0.896 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.0 90.49 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.876 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.09 84.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.309 -1.494 . . . . 0.0 108.539 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.4 mt-10 -61.69 -40.04 93.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.269 -0.895 . . . . 0.0 109.717 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -67.18 -41.02 86.62 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 111.704 -178.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -63.02 -37.03 85.58 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 120.314 -1.491 . . . . 0.0 110.171 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.3 -61.92 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.227 -0.921 . . . . 0.0 112.351 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.68 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.327 -0.858 . . . . 0.0 110.071 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.7 mtp -63.54 -39.43 94.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.848 -1.157 . . . . 0.0 110.405 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.3 m -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.214 -0.928 . . . . 0.0 110.253 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -36.49 84.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 111.613 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.19 -3.97 25.04 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.208 -0.932 . . . . 0.0 111.029 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.01 -94.74 0.18 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -174.03 160.55 3.5 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.465 -1.609 . . . . 0.0 108.432 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.15 133.76 51.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -109.97 -172.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.9 p -101.92 159.52 15.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.967 -1.083 . . . . 0.0 109.137 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -57.58 -40.3 78.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 109.909 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.99 -42.45 94.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.041 -1.037 . . . . 0.0 109.663 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -61.43 -45.23 95.19 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.201 -0.937 . . . . 0.0 110.101 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.75 -32.83 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.543 -0.723 . . . . 0.0 109.136 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.58 -43.0 97.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.067 -1.021 . . . . 0.0 109.491 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -39.0 92.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.853 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.3 ttt -58.79 -40.11 83.08 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.027 -1.046 . . . . 0.0 109.239 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.81 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.382 -0.823 . . . . 0.0 109.7 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.5 -45.81 90.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.917 -1.114 . . . . 0.0 111.283 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.16 -38.99 93.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.99 -1.069 . . . . 0.0 111.316 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 0.21 57.37 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.889 -1.132 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -81.3 83.57 6.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.217 . . . . 0.0 110.534 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.07 -43.96 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.131 -0.981 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.8 p30 -76.2 -25.43 55.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.77 20.46 63.54 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 48.9 p-10 -81.11 -4.21 54.55 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.361 -1.082 . . . . 0.0 110.103 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.78 -0.14 83.06 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -138.15 159.14 42.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.189 -1.183 . . . . 0.0 108.5 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.8 t -98.54 121.92 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.599 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.57 -178.62 3.7 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.716 0.769 . . . . 0.0 109.922 -178.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 9.1 m-85 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -60.64 -50.79 72.09 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.442 -0.787 . . . . 0.0 109.852 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 80.3 mt-10 -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.031 -1.043 . . . . 0.0 109.152 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.61 -47.43 81.42 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.689 -0.632 . . . . 0.0 110.792 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.01 -43.43 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 119.992 -1.692 . . . . 0.0 108.052 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.88 -40.17 96.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.374 -0.828 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 109.962 -179.284 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.2 tp . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -108.12 156.75 18.95 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.615 0.722 . . . . 0.0 110.852 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -63.66 -20.12 65.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.662 -0.649 . . . . 0.0 110.249 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.02 -39.42 83.14 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.809 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -66.21 -39.62 89.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 110.514 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.519 -1.363 . . . . 0.0 108.802 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.0 89.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.105 -0.997 . . . . 0.0 109.983 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.05 -43.44 98.82 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.836 -1.165 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.5 -28.12 22.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.869 -1.144 . . . . 0.0 110.857 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.76 -44.26 96.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.986 -1.071 . . . . 0.0 109.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.83 -46.95 87.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 108.855 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.13 73.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 0.0 110.032 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 82.1 t80 -59.09 -47.63 84.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.066 -1.021 . . . . 0.0 111.792 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.05 -22.37 65.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.835 -1.166 . . . . 0.0 111.089 -177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -39.55 90.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.794 -1.191 . . . . 0.0 109.756 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.35 -38.76 78.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.99 -1.069 . . . . 0.0 109.963 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -82.69 83.49 7.64 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.672 -1.267 . . . . 0.0 109.83 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -62.59 -29.35 70.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.28 -0.887 . . . . 0.0 109.881 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.41 -26.77 68.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 0.0 110.031 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.65 78.71 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 120.507 -1.371 . . . . 0.0 110.532 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -92.32 5.1 51.84 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.121 -1.223 . . . . 0.0 109.963 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.78 7.98 88.06 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.384 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.3 p -135.87 151.36 49.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.26 -1.141 . . . . 0.0 109.16 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.2 mt -105.49 130.53 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -107.71 158.5 17.22 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.373 0.606 . . . . 0.0 109.913 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 p -55.47 -36.47 66.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.225 -0.922 . . . . 0.0 110.455 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.66 -41.72 92.21 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.128 -0.982 . . . . 0.0 109.939 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.55 -41.85 92.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.293 -0.88 . . . . 0.0 111.474 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -56.44 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.057 -1.027 . . . . 0.0 110.268 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.6 99.15 Favored Glycine 0 N--CA 1.485 1.937 0 C-N-CA 119.444 -1.36 . . . . 0.0 110.174 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.95 -46.89 87.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.017 -1.284 . . . . 0.0 109.464 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.08 -38.88 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.667 -1.271 . . . . 0.0 109.231 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.32 -33.52 75.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.951 -1.093 . . . . 0.0 108.874 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -58.17 -36.36 72.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.36 -0.838 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.6 m -56.07 -34.21 65.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.224 -0.922 . . . . 0.0 108.575 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -69.39 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.62 55.05 22.28 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -126.11 152.51 45.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.446 -1.032 . . . . 0.0 109.749 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -140.61 66.04 27.14 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.45 162.87 30.33 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 123.039 2.492 . . . . 0.0 112.395 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -99.72 160.8 14.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.399 -0.813 . . . . 0.0 109.773 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 50.0 mp0 -60.74 -43.25 98.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.672 -0.642 . . . . 0.0 110.373 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.15 93.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.104 -0.997 . . . . 0.0 110.033 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.34 -45.29 91.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.39 -38.16 86.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.249 -0.907 . . . . 0.0 110.38 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.669 HE22 ' ND2' ' A' ' 53' ' ' ASN . 14.2 tm0? -60.24 -40.36 89.99 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 108.461 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.96 -47.24 85.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.476 -0.765 . . . . 0.0 110.311 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.11 -56.83 15.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.079 . . . . 0.0 110.434 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -35.79 69.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.568 -0.708 . . . . 0.0 110.044 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.669 ' ND2' HE22 ' A' ' 49' ' ' GLN . 6.6 m-20 -59.11 -26.13 64.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.76 -24.88 67.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.135 -0.978 . . . . 0.0 111.26 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' VAL . 14.4 p -135.52 32.74 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 120.959 -1.088 . . . . 0.0 111.565 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.0 t0 -91.13 102.4 15.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.611 -1.305 . . . . 0.0 108.968 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.71 -23.8 18.09 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.08 -1.012 . . . . 0.0 110.316 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.536 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 29.8 p30 -92.61 -6.84 48.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.96 -1.088 . . . . 0.0 109.054 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.4 26.61 64.45 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.536 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.8 p-10 -96.09 2.51 53.3 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.317 -1.108 . . . . 0.0 110.449 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.41 19.86 74.81 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.489 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 70.5 p -140.45 160.9 38.98 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.176 -1.19 . . . . 0.0 107.81 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.89 122.24 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.46 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -91.21 155.67 18.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.084 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 27.4 t80 -46.83 -52.9 29.47 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.289 -0.882 . . . . 0.0 111.707 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 16.8 Cg_endo -57.39 -35.95 98.85 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 CA-C-N 120.696 1.284 . . . . 0.0 111.382 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.15 -44.55 91.79 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 51.6 t80 -62.1 -46.93 86.9 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.074 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.9 tp -59.09 -39.79 83.28 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.942 0.877 . . . . 0.0 109.738 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.2 m -64.39 -43.51 94.23 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.193 0.52 . . . . 0.0 109.801 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ttp -62.4 -42.66 99.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.165 -0.959 . . . . 0.0 109.342 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.88 -41.7 96.48 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.52 -0.738 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -29.16 52.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.764 -1.21 . . . . 0.0 109.153 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' ASP . 41.9 ttm180 -62.87 -43.18 99.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.449 -0.782 . . . . 0.0 110.403 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' O ' ' O ' ' A' ' 78' ' ' ASP . 87.8 tttt -59.3 -45.97 89.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 108.903 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmm -64.5 -36.51 84.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.167 -0.958 . . . . 0.0 109.786 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.35 10.42 40.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.783 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 74' ' ' ARG . 22.2 t0 -156.63 179.95 8.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.011 -1.056 . . . . 0.0 109.361 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -141.9 47.2 1.64 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.587 -0.696 . . . . 0.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -69.26 -8.9 50.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.6 p -77.64 3.92 12.67 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.54 -46.58 80.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.467 -0.771 . . . . 0.0 109.514 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.4 -39.65 91.47 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.639 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 55.6 mp0 -70.43 -28.11 64.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.662 -0.649 . . . . 0.0 109.961 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.1 -42.76 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -66.3 -36.7 83.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.773 -1.205 . . . . 0.0 110.008 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -39.69 94.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.44 -27.95 40.77 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 30.8 t80 -56.77 -39.86 74.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.382 -0.824 . . . . 0.0 109.225 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -65.48 -37.91 88.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.075 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.82 -41.37 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 0.0 109.758 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.99 -39.57 69.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 110.017 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.2 t0 -82.5 81.43 8.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.986 -1.071 . . . . 0.0 110.666 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -63.69 -43.24 97.24 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.313 -0.867 . . . . 0.0 111.531 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 56.5 p30 -68.68 -26.31 65.23 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.793 -1.192 . . . . 0.0 111.056 -177.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.34 15.21 81.64 Favored Glycine 0 N--CA 1.487 2.059 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.978 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.1 p-10 -69.15 -5.75 24.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.854 -1.38 . . . . 0.0 108.47 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.65 3.58 80.66 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.479 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 45.3 m-85 -138.78 143.89 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -95.54 128.79 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.745 -1.222 . . . . 0.0 109.577 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -106.06 165.64 11.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.988 0.899 . . . . 0.0 110.746 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.55 92.17 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.838 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.2 86.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.378 -1.451 . . . . 0.0 108.497 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.58 -41.05 96.85 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.107 -0.996 . . . . 0.0 109.88 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.16 -40.3 90.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.268 -0.895 . . . . 0.0 110.263 -179.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.09 -39.5 92.66 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.618 -1.301 . . . . 0.0 110.102 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.26 -60.76 2.81 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.297 -0.877 . . . . 0.0 112.535 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.34 -40.99 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.173 -0.954 . . . . 0.0 109.623 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.3 mtp -63.32 -38.29 90.59 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 110.17 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.8 m -66.09 -40.73 91.02 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.209 -0.932 . . . . 0.0 111.338 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.45 -22.27 66.91 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.106 -0.996 . . . . 0.0 111.553 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.5 mt -89.11 9.4 25.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.797 -1.19 . . . . 0.0 110.18 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.31 11.08 83.84 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -106.79 137.38 44.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.614 -0.933 . . . . 0.0 109.035 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -143.63 122.13 12.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.422 -0.799 . . . . 0.0 109.477 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.26 -179.27 3.59 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.2 p -101.16 164.3 11.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 108.939 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -59.39 -39.23 82.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.255 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -62.08 -40.08 94.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.03 -1.044 . . . . 0.0 109.344 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.93 -43.16 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.615 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -72.42 -35.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.36 -41.52 89.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.087 -1.008 . . . . 0.0 109.251 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.34 -39.04 91.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.977 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.005 -1.059 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.47 -44.56 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.721 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -60.74 -45.42 94.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.985 . . . . 0.0 110.903 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.53 -38.6 87.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.963 -1.086 . . . . 0.0 111.391 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.73 0.88 56.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.804 -1.185 . . . . 0.0 110.853 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.27 83.89 7.28 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.655 -1.278 . . . . 0.0 111.108 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.13 -44.07 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.19 -0.943 . . . . 0.0 110.848 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.6 p-10 -76.45 -25.75 54.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 109.085 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.51 20.71 63.55 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.451 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.1 p-10 -79.98 -7.6 58.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.333 -1.098 . . . . 0.0 110.285 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 86.42 -7.04 80.57 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.848 -1.168 . . . . 0.0 110.21 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.5 mp0 -131.4 170.4 14.72 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.269 -1.136 . . . . 0.0 108.591 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.92 125.07 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.595 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 -179.06 3.77 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.912 0.863 . . . . 0.0 110.464 -178.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.4 m-85 -59.45 -40.02 85.46 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -60.62 -50.37 73.77 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.381 -0.825 . . . . 0.0 109.653 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 86.9 mt-10 -67.71 -40.71 84.26 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.237 -0.915 . . . . 0.0 109.359 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.54 -48.2 80.54 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.868 -0.52 . . . . 0.0 110.673 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.1 t -71.51 -44.24 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.593 0 O-C-N 119.925 -1.735 . . . . 0.0 108.435 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -61.68 -41.46 97.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.329 -0.857 . . . . 0.0 110.053 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 C--N 1.296 -1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 109.274 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 4' ' ' LEU . 9.1 tp . . . . . 0 N--CA 1.495 1.814 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 p -109.73 157.52 19.04 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-O 121.688 0.756 . . . . 0.0 110.682 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.38 -39.91 94.78 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.706 -0.621 . . . . 0.0 110.053 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.84 -41.09 97.39 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.071 -1.018 . . . . 0.0 110.303 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.42 -40.09 93.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.102 -0.999 . . . . 0.0 110.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.15 -40.01 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.594 -1.316 . . . . 0.0 109.64 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.97 76.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.924 -1.11 . . . . 0.0 109.837 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.79 -42.51 97.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.812 -1.18 . . . . 0.0 110.331 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.96 -19.26 29.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.911 -1.118 . . . . 0.0 109.752 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.32 -43.21 98.44 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.798 -1.189 . . . . 0.0 109.206 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.83 -43.48 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.078 -1.014 . . . . 0.0 109.255 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.55 84.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.935 . . . . 0.0 109.188 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 -45.28 86.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 0.0 111.34 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.32 -39.3 82.63 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.059 -1.026 . . . . 0.0 111.503 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -42.07 63.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.72 -1.237 . . . . 0.0 110.502 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -67.66 -38.69 84.15 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.796 -1.19 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 52.2 t0 -84.05 82.98 8.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.676 -1.265 . . . . 0.0 109.711 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -63.34 -25.38 68.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.251 -0.906 . . . . 0.0 110.083 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.36 -28.8 70.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.987 -1.071 . . . . 0.0 110.131 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.83 85.12 Favored Glycine 0 N--CA 1.498 2.795 0 O-C-N 120.532 -1.355 . . . . 0.0 110.129 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -91.59 5.15 50.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.453 -1.028 . . . . 0.0 109.793 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 12.52 84.52 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 72.9 p -137.68 149.82 46.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.183 -1.187 . . . . 0.0 109.205 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -105.67 130.56 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 CA-C-O 121.715 0.769 . . . . 0.0 109.087 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.6 p -107.43 158.28 17.31 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.9 p -55.65 -35.72 66.25 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.15 -0.969 . . . . 0.0 110.121 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -64.73 -42.35 95.28 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.0 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.98 -42.07 90.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.853 . . . . 0.0 111.384 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -56.04 6.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.037 . . . . 0.0 110.223 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.07 96.44 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.056 -1.545 . . . . 0.0 109.88 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.0 m -59.88 -46.17 90.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.985 -1.303 . . . . 0.0 109.098 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.14 -38.41 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.68 -1.262 . . . . 0.0 108.978 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.5 ttp -65.1 -27.6 68.86 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 108.815 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -60.94 -37.74 83.41 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.329 -0.857 . . . . 0.0 109.686 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 40' ' ' GLY . 46.2 t -57.8 -35.25 70.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 108.766 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -65.33 16.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.85 36.37 92.07 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.063 -1.023 . . . . 0.0 110.582 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -110.75 154.69 23.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.521 -0.988 . . . . 0.0 109.803 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -138.59 68.71 45.3 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.69 163.74 28.8 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 123.049 2.499 . . . . 0.0 112.825 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 p -105.69 165.25 11.3 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.735 0.779 . . . . 0.0 109.574 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.07 -42.02 93.66 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.643 -0.661 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.91 95.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.32 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.34 -45.22 88.8 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.952 -1.092 . . . . 0.0 110.221 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.08 -35.52 80.0 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.368 -0.833 . . . . 0.0 109.558 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -58.72 -48.43 81.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 0.0 109.806 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.05 -1.031 . . . . 0.0 109.73 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.3 mtt -60.98 -51.63 68.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.112 -0.993 . . . . 0.0 110.674 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -40.06 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.978 -1.076 . . . . 0.0 110.495 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.29 -36.25 75.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.534 -0.729 . . . . 0.0 110.236 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.88 -24.08 61.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.187 -0.946 . . . . 0.0 111.71 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -122.75 16.31 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 O-C-N 121.249 -0.907 . . . . 0.0 111.296 -179.269 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 64.4 t0 -85.69 105.92 16.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.692 -1.255 . . . . 0.0 109.146 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.45 -24.16 17.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.22 -0.925 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 37.0 p30 -90.81 -6.63 54.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.887 -1.133 . . . . 0.0 109.439 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.26 24.95 66.02 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.5 p-10 -92.88 0.1 57.34 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -1.148 . . . . 0.0 109.62 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.45 17.37 77.72 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.07 161.54 37.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.164 -1.198 . . . . 0.0 107.951 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.52 122.19 53.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -92.21 153.28 19.39 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.002 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 10.4 t80 -43.54 -52.2 14.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 O-C-N 121.327 -0.858 . . . . 0.0 112.095 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -59.67 -32.8 96.41 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 CA-C-N 120.921 1.365 . . . . 0.0 111.469 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.97 -43.76 91.58 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -60.94 -44.43 97.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.423 0.63 . . . . 0.0 110.013 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.6 -39.22 79.8 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.32 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -62.04 -44.05 97.54 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.0 -41.05 97.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.189 -0.944 . . . . 0.0 109.638 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.54 -44.03 93.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.936 . . . . 0.0 110.873 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.54 -23.71 42.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.848 -1.157 . . . . 0.0 108.669 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -58.18 -26.56 62.93 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.692 -0.63 . . . . 0.0 110.147 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 38.7 ttpt -57.1 -44.27 83.05 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 109.07 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtt -61.4 -43.65 98.51 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 108.912 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -70.17 -37.3 75.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 47.6 m-20 60.12 51.81 5.46 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.337 0.589 . . . . 0.0 109.687 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -69.94 0.59 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.336 -0.853 . . . . 0.0 110.077 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 81' ' ' SER . 57.8 p-10 -81.2 -16.37 52.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 90.8 p -55.79 -24.63 36.93 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.183 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.59 -41.99 91.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.77 -39.42 93.58 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.473 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.08 -18.76 61.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mt -61.05 -43.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.908 -1.12 . . . . 0.0 108.657 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -65.41 -39.27 91.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.642 -1.286 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.13 -38.19 87.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.887 -1.133 . . . . 0.0 110.168 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.84 67.99 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 32.0 t80 -56.55 -38.34 71.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.844 -1.16 . . . . 0.0 108.886 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.08 -40.37 97.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 110.794 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -39.88 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.009 . . . . 0.0 109.543 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.16 -41.45 63.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.305 -0.872 . . . . 0.0 109.866 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.3 t0 -81.24 82.66 7.06 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.021 -1.049 . . . . 0.0 109.883 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.41 -44.62 90.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.646 -0.659 . . . . 0.0 111.344 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 52.9 p-10 -68.78 -27.12 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.011 -1.056 . . . . 0.0 110.792 -178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.31 16.48 79.82 Favored Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.578 -1.296 . . . . 0.0 110.072 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.8 p-10 -68.79 -7.26 32.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.351 . . . . 0.0 108.585 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.23 80.07 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.527 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.2 m-85 -134.02 142.3 47.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -96.8 127.87 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.56 -1.338 . . . . 0.0 109.151 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.4 p -105.68 165.21 11.33 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.816 0.817 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.88 86.1 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.868 -0.52 . . . . 0.0 111.379 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.12 83.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.452 -1.405 . . . . 0.0 108.624 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.6 -40.49 94.99 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.238 -0.914 . . . . 0.0 109.961 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.36 -40.68 85.81 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.211 -0.93 . . . . 0.0 111.008 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -63.8 -37.96 89.33 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.394 -1.441 . . . . 0.0 109.983 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.75 -60.05 3.54 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.448 -0.783 . . . . 0.0 112.389 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.74 -40.65 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.079 -1.013 . . . . 0.0 109.769 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.453 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -62.75 -38.01 88.85 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.2 m -64.39 -40.74 96.39 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.224 -0.923 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.14 -23.12 67.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.111 -0.993 . . . . 0.0 111.349 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.04 7.87 38.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.907 -1.121 . . . . 0.0 109.832 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 11.05 83.66 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.55 127.07 47.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.588 -0.948 . . . . 0.0 108.889 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -135.78 116.81 14.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.557 -0.714 . . . . 0.0 109.465 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 -177.49 3.14 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -101.35 162.74 12.68 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.29 -0.881 . . . . 0.0 109.08 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.38 -40.68 82.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 110.047 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.51 -41.55 94.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.051 -1.031 . . . . 0.0 109.157 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.12 -43.44 98.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 109.67 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.77 -32.86 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.94 -40.66 85.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 108.851 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.5 -37.84 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.136 -0.978 . . . . 0.0 109.857 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.03 -42.97 91.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.118 -0.989 . . . . 0.0 109.884 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.36 -46.2 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.117 -0.99 . . . . 0.0 110.099 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.91 -41.53 99.47 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.625 -1.297 . . . . 0.0 111.172 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.41 -39.19 85.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.88 -1.137 . . . . 0.0 111.211 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.52 -7.23 55.37 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.918 -1.114 . . . . 0.0 111.427 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.9 90.67 4.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.698 -1.252 . . . . 0.0 109.795 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.26 -44.45 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.548 -0.72 . . . . 0.0 111.312 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.7 p30 -77.32 -24.28 50.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.564 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.62 21.72 57.47 Favored Glycine 0 N--CA 1.482 1.704 0 C-N-CA 119.608 -1.282 . . . . 0.0 109.939 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.8 p30 -77.87 -11.78 59.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.354 -1.086 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.51 -10.52 73.12 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.4 162.99 28.88 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -1.095 . . . . 0.0 108.529 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.93 123.15 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.24 -174.67 2.58 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.995 0.902 . . . . 0.0 110.619 -177.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.8 m-85 -62.06 -40.09 94.61 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.9 -50.84 71.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.378 -0.826 . . . . 0.0 109.805 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.39 -41.62 84.69 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.213 -0.929 . . . . 0.0 109.245 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.95 -47.42 83.26 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.588 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.55 -43.19 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.029 -1.669 . . . . 0.0 108.654 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -64.98 -38.34 90.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.564 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.495 1.811 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.302 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -109.19 156.96 19.25 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.558 0.694 . . . . 0.0 110.565 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -39.76 94.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.557 -0.714 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.979 -1.076 . . . . 0.0 110.375 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -61.39 -40.03 92.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.023 . . . . 0.0 110.173 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.23 -39.63 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.464 -1.398 . . . . 0.0 109.654 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.35 76.37 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.901 -1.125 . . . . 0.0 109.792 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.772 -1.205 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.74 -19.37 29.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.869 -1.145 . . . . 0.0 109.775 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.4 -43.16 98.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 109.072 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.98 -46.28 89.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.194 -0.942 . . . . 0.0 108.985 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.76 81.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.218 -0.926 . . . . 0.0 109.493 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.04 -46.01 82.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.304 -0.872 . . . . 0.0 111.139 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -62.64 -21.99 66.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.871 -1.143 . . . . 0.0 111.779 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.9 88.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.402 -1.436 . . . . 0.0 110.094 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -69.38 -37.86 77.75 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.078 -1.014 . . . . 0.0 109.575 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -83.74 81.37 8.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.63 -1.294 . . . . 0.0 109.783 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.54 -22.56 66.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.17 -0.956 . . . . 0.0 110.007 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.09 -30.22 71.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 3.79 88.51 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.37 -1.457 . . . . 0.0 110.389 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -87.62 2.13 51.76 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.275 -1.132 . . . . 0.0 110.141 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.24 86.8 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.531 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.9 p -136.02 150.14 49.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.251 -1.146 . . . . 0.0 108.87 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.02 131.0 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.742 0.782 . . . . 0.0 108.998 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.6 p -109.01 159.49 16.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -55.98 -35.8 67.15 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.242 -0.911 . . . . 0.0 110.224 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.6 -41.57 96.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.239 -0.913 . . . . 0.0 109.795 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -42.92 88.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.502 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -52.56 18.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.996 -1.065 . . . . 0.0 110.178 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.34 -39.63 96.4 Favored Glycine 0 N--CA 1.487 2.088 0 C-N-CA 119.539 -1.315 . . . . 0.0 109.864 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.5 m -60.61 -46.24 91.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.933 -1.334 . . . . 0.0 109.551 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.26 -37.67 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 120.753 -1.217 . . . . 0.0 109.154 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.5 ttt -62.32 -35.04 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.762 -1.212 . . . . 0.0 108.87 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -57.1 -34.94 68.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.504 -0.748 . . . . 0.0 109.474 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.592 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -57.76 -36.06 71.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 18.15 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.111 -0.993 . . . . 0.0 109.073 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.13 38.57 96.15 Favored Glycine 0 N--CA 1.484 1.846 0 C-N-CA 120.214 -0.994 . . . . 0.0 110.65 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.27 159.89 21.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.517 -0.99 . . . . 0.0 109.395 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -141.63 73.02 24.62 Favored Pre-proline 0 C--N 1.299 -1.629 0 O-C-N 121.651 -0.656 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.08 161.44 32.61 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.645 2.23 . . . . 0.0 112.072 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -104.25 163.67 12.26 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.755 0.788 . . . . 0.0 110.036 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -42.56 98.26 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.425 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.61 94.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.989 -1.069 . . . . 0.0 110.16 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.05 -43.52 92.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.852 -1.155 . . . . 0.0 109.987 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.47 -28.92 65.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.222 -0.924 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -59.14 -46.38 88.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 109.174 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.55 -41.18 94.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 38.0 ttp -60.22 -51.51 69.28 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.829 -1.17 . . . . 0.0 110.085 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -36.27 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.33 -36.37 73.3 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -61.1 -19.62 61.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.852 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.3 p -133.81 28.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.928 -1.108 . . . . 0.0 111.34 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.2 t0 -90.73 100.47 13.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.782 -1.199 . . . . 0.0 108.705 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 -22.55 18.45 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.068 -1.02 . . . . 0.0 110.34 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.2 p30 -91.9 -11.17 37.07 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.993 -1.067 . . . . 0.0 109.144 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.48 24.89 69.7 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.8 p30 -95.29 1.19 54.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.441 -1.035 . . . . 0.0 110.217 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.43 76.25 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.05 -1.031 . . . . 0.0 110.614 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -142.16 162.2 36.07 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -1.218 . . . . 0.0 108.088 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.69 121.2 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.376 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.46 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 63.8 m-20 -91.32 155.7 18.32 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.75 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 12.6 t80 -45.67 -52.9 22.02 Favored Pre-proline 0 C--N 1.3 -1.579 0 O-C-N 121.437 -0.789 . . . . 0.0 112.048 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -59.56 -33.26 96.97 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.898 1.356 . . . . 0.0 111.419 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.59 -43.36 94.09 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -61.66 -45.17 95.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.65 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.26 -40.5 82.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.476 -0.765 . . . . 0.0 109.977 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 109.495 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.3 -41.71 93.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.872 -1.142 . . . . 0.0 110.303 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.71 -24.33 49.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.933 -1.104 . . . . 0.0 108.946 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' NH1' ' OD2' ' A' ' 80' ' ' ASP . 55.8 ttp180 -53.48 -21.76 6.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.317 -0.865 . . . . 0.0 109.278 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 27.7 ttpp -58.31 -42.49 86.79 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.35 -41.58 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.049 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -73.73 -20.12 60.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 109.233 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 68.1 m-20 54.39 35.39 22.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.556 -0.715 . . . . 0.0 110.603 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.8 m -70.12 -41.57 73.78 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.852 -1.155 . . . . 0.0 109.267 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' A' ' 74' ' ' ARG . 97.0 m-20 -109.2 -15.07 14.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 109.271 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -49.04 -36.55 18.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.29 -38.71 90.41 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.884 -1.135 . . . . 0.0 109.011 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.81 -46.08 90.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.475 -0.766 . . . . 0.0 111.68 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -67.72 -25.22 65.55 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.558 -1.339 . . . . 0.0 111.564 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mt -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.135 -0.978 . . . . 0.0 108.946 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -68.51 -39.65 81.16 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.542 -1.349 . . . . 0.0 110.951 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.06 -37.53 78.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.779 -1.2 . . . . 0.0 110.184 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.12 62.97 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.155 -0.966 . . . . 0.0 109.578 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.2 t80 -57.58 -39.17 76.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.029 -1.044 . . . . 0.0 108.411 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -63.36 -40.6 97.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 110.457 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.39 -41.93 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.278 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -71.45 -40.15 70.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.206 -0.934 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -82.09 85.71 6.71 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.96 -1.088 . . . . 0.0 110.302 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.72 -43.55 93.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.52 -0.738 . . . . 0.0 112.018 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.1 p-10 -69.13 -27.83 65.92 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.749 -1.219 . . . . 0.0 111.511 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.4 16.06 80.07 Favored Glycine 0 N--CA 1.488 2.155 0 C-N-CA 119.412 -1.375 . . . . 0.0 110.256 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.553 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 48.0 p-10 -74.58 -4.5 37.4 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.782 -1.422 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.31 -5.22 84.27 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.553 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.4 m-85 -132.68 136.96 46.76 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.59 130.92 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.336 -1.477 . . . . 0.0 109.732 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -102.01 165.37 11.21 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.333 -0.854 . . . . 0.0 109.986 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.16 94.05 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.386 -0.821 . . . . 0.0 112.872 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.54 84.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 119.951 -1.718 . . . . 0.0 109.551 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 78.4 mt-10 -62.71 -40.7 97.97 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.221 -0.924 . . . . 0.0 111.961 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 109' ' ' MET . 4.4 tt -65.9 -37.21 85.5 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.952 -1.093 . . . . 0.0 111.235 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -67.29 -35.71 80.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.825 -1.172 . . . . 0.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -57.27 -58.29 8.87 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 121.324 -0.86 . . . . 0.0 113.024 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -39.28 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.8 mtp -62.63 -38.71 91.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 110.342 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.3 m -65.84 -40.56 91.86 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.233 -0.917 . . . . 0.0 110.643 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.0 -21.7 66.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.035 -1.04 . . . . 0.0 110.488 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.76 10.67 38.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.66 19.59 78.99 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.99 -1.1 . . . . 0.0 110.374 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -111.85 143.65 42.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.493 -1.004 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -157.81 132.61 8.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.871 . . . . 0.0 109.828 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.46 -171.86 2.12 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -100.82 162.22 13.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.159 -0.963 . . . . 0.0 109.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.53 -39.56 84.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 110.065 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.19 -41.79 97.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.066 -1.021 . . . . 0.0 109.048 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.71 -43.68 95.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.894 . . . . 0.0 109.931 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.08 -36.5 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.59 -43.63 97.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.084 -1.01 . . . . 0.0 109.994 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.21 -38.42 89.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.4 mtt -61.03 -40.87 95.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 109.726 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.33 -43.7 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.037 -1.039 . . . . 0.0 108.576 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.51 -45.37 94.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.094 -1.004 . . . . 0.0 111.044 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.06 -38.9 89.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.964 -1.085 . . . . 0.0 111.25 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 -1.12 57.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.985 -1.072 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.53 82.0 5.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.897 -1.127 . . . . 0.0 110.49 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -45.69 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p-10 -76.0 -25.69 55.99 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.926 -1.109 . . . . 0.0 108.959 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.32 20.65 60.06 Favored Glycine 0 N--CA 1.482 1.74 0 C-N-CA 119.342 -1.409 . . . . 0.0 109.733 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 53.9 p-10 -81.06 -5.25 57.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -1.196 . . . . 0.0 110.146 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.1 83.38 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.758 -1.211 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -137.42 157.95 45.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 108.46 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.43 124.26 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.042 -1.036 . . . . 0.0 109.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.635 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 178.79 4.38 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.639 0.733 . . . . 0.0 109.891 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.0 m-85 -58.41 -40.34 82.2 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.33 -51.76 68.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.439 -0.788 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 90.9 mt-10 -65.77 -39.8 91.38 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 120.84 -1.163 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.57 -49.11 77.99 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.689 -0.632 . . . . 0.0 110.356 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -72.19 -44.46 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 O-C-N 119.969 -1.707 . . . . 0.0 108.609 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -62.32 -40.21 95.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.332 -0.855 . . . . 0.0 110.213 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.6 ttt . . . . . 0 C--N 1.298 -1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.365 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -108.53 156.67 19.23 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.567 0.699 . . . . 0.0 110.674 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.91 -39.56 90.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.951 -1.093 . . . . 0.0 110.147 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.31 -40.37 93.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.759 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.85 -38.84 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.701 -1.249 . . . . 0.0 109.76 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.98 71.16 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.832 -1.167 . . . . 0.0 110.003 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.88 -1.137 . . . . 0.0 110.07 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -86.94 -18.71 30.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.875 -1.141 . . . . 0.0 109.713 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -42.81 96.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.822 -1.174 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -43.27 97.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.948 -1.095 . . . . 0.0 108.948 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.38 80.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.242 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.76 -45.9 85.28 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.301 -0.875 . . . . 0.0 111.296 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.69 -21.82 66.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.906 -1.121 . . . . 0.0 111.636 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -41.15 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.59 -1.319 . . . . 0.0 110.107 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.03 -37.23 75.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.104 -0.998 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 53.4 t0 -82.81 82.2 8.22 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.696 -1.253 . . . . 0.0 109.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.68 -24.63 67.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.231 -0.918 . . . . 0.0 109.756 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.21 -30.0 71.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.0 110.455 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.1 5.88 87.3 Favored Glycine 0 N--CA 1.495 2.594 0 O-C-N 120.325 -1.484 . . . . 0.0 110.101 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -88.33 3.6 49.15 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.382 -1.069 . . . . 0.0 110.04 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.57 87.52 Favored Glycine 0 N--CA 1.489 2.174 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.246 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.19 151.33 49.61 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -1.129 . . . . 0.0 109.07 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.61 129.28 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 74.7 p -105.51 157.0 17.68 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.823 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.8 p -54.6 -35.34 63.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.352 -0.842 . . . . 0.0 110.192 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -66.46 -41.03 89.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.196 -0.94 . . . . 0.0 109.959 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 39.2 mt-10 -65.89 -41.8 91.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.0 111.594 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -56.56 5.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.988 -1.07 . . . . 0.0 110.451 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.76 -40.18 96.29 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.01 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -60.11 -46.61 89.05 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.064 -1.257 . . . . 0.0 109.546 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.98 -40.03 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.772 -1.205 . . . . 0.0 109.61 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 50.6 ttp -64.56 -34.85 79.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.758 -1.214 . . . . 0.0 108.884 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.64 -34.18 69.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -0.798 . . . . 0.0 109.525 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -56.64 -35.74 68.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.145 -0.972 . . . . 0.0 109.558 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' CB ' HE21 ' A' ' 41' ' ' GLN . 0.4 OUTLIER -69.03 22.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.017 -1.052 . . . . 0.0 108.861 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.589 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.09 42.77 91.7 Favored Glycine 0 N--CA 1.485 1.931 0 O-C-N 121.085 -1.009 . . . . 0.0 110.773 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 36' ' ' MET . 33.5 mt-30 -115.72 154.03 30.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.998 . . . . 0.0 109.649 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -141.76 69.41 24.79 Favored Pre-proline 0 C--N 1.295 -1.784 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.04 161.78 35.28 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.762 2.308 . . . . 0.0 112.607 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.6 p -104.21 166.56 10.33 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.706 0.765 . . . . 0.0 109.814 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.22 -45.0 92.27 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.721 -0.612 . . . . 0.0 110.262 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.33 -39.47 93.17 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.03 -1.044 . . . . 0.0 110.186 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.5 -46.04 87.93 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.812 -1.18 . . . . 0.0 109.939 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.94 -37.53 84.48 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.4 -0.812 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -59.29 -46.48 88.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.913 -1.117 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.96 -44.44 94.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.136 -0.977 . . . . 0.0 110.393 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mtp -58.78 -57.14 14.32 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.92 -1.112 . . . . 0.0 110.658 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.95 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 110.295 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -58.08 -36.78 73.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.373 -0.829 . . . . 0.0 110.639 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.99 -18.78 59.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 111.763 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.8 p -132.35 26.19 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.049 -1.032 . . . . 0.0 111.46 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -89.77 100.26 13.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.71 -1.244 . . . . 0.0 108.609 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.15 -22.88 18.18 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.067 -1.021 . . . . 0.0 110.463 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 22.9 p30 -90.84 -10.67 41.87 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.989 -1.069 . . . . 0.0 109.15 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.69 24.57 69.78 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.527 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.9 p30 -95.9 1.04 52.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.329 -1.1 . . . . 0.0 110.115 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.04 20.26 76.18 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.032 -1.042 . . . . 0.0 110.511 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.421 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.6 160.93 39.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.13 -1.218 . . . . 0.0 108.082 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.9 mt -100.4 121.41 51.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.4 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.5 m-20 -91.22 155.18 18.77 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.905 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.7 t80 -45.03 -52.72 18.57 Favored Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 111.958 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.27 -34.43 98.03 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 CA-C-N 120.843 1.337 . . . . 0.0 111.415 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.25 -43.63 94.29 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.72 -45.3 94.55 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 0.0 110.608 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.66 -39.45 77.1 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.802 0.811 . . . . 0.0 109.779 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.79 -42.68 94.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.832 -0.543 . . . . 0.0 109.764 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.26 -41.26 97.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.97 . . . . 0.0 109.377 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.92 -42.35 93.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.044 -1.035 . . . . 0.0 110.378 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.88 -24.12 48.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.773 -1.204 . . . . 0.0 109.008 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -54.94 -21.65 12.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.846 . . . . 0.0 109.796 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -58.31 -42.45 86.72 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.4 OUTLIER -61.73 -39.77 92.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 109.267 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.93 -39.31 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.117 -0.989 . . . . 0.0 109.58 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.436 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 15.6 t0 67.39 55.78 0.64 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.849 -0.532 . . . . 0.0 109.721 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -77.2 0.56 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 81' ' ' SER . 58.4 p30 -81.47 -14.12 57.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.869 -1.144 . . . . 0.0 108.613 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 95.9 p -48.35 -29.25 3.76 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.74 -41.14 99.05 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.068 -1.02 . . . . 0.0 108.286 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 80' ' ' ASP . 88.3 tt0 -63.91 -46.11 86.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.51 -0.744 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 20.1 mp0 -68.77 -36.87 78.86 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.096 -1.002 . . . . 0.0 110.401 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.97 -42.78 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.131 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.95 -37.34 85.76 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 120.838 -1.164 . . . . 0.0 109.777 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.44 -38.93 93.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.963 -1.086 . . . . 0.0 109.626 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -28.16 38.09 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.12 -0.987 . . . . 0.0 109.09 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -56.28 -39.22 72.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.49 -36.77 83.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.537 -0.727 . . . . 0.0 109.853 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.7 -39.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.765 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.12 -40.21 71.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.197 -0.94 . . . . 0.0 109.787 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 29.0 t0 -82.57 82.21 8.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.018 -1.051 . . . . 0.0 110.095 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.92 -42.5 97.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.369 -0.832 . . . . 0.0 111.346 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.7 p-10 -68.51 -26.62 65.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.92 -1.112 . . . . 0.0 110.905 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.81 16.37 80.82 Favored Glycine 0 N--CA 1.488 2.103 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.07 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.6 p-10 -70.46 -5.37 28.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.896 -1.355 . . . . 0.0 108.795 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.48 2.18 82.73 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 60.1 m-85 -137.92 144.68 41.4 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -96.26 129.07 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.631 -1.293 . . . . 0.0 109.596 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.0 p -106.29 166.01 10.84 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.02 0.914 . . . . 0.0 110.633 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.95 93.12 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.881 -0.512 . . . . 0.0 111.88 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.77 88.56 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 108.748 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.18 -41.14 96.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.158 -0.964 . . . . 0.0 109.689 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.427 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.14 -41.16 90.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.748 . . . . 0.0 110.476 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.29 -39.41 90.32 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 109.937 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.28 -61.89 1.96 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.86 -40.79 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.19 -0.944 . . . . 0.0 109.529 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.427 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.5 mtp -63.18 -38.17 90.13 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.926 -1.109 . . . . 0.0 109.951 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.847 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 96.2 m -65.39 -40.35 93.33 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.256 -0.903 . . . . 0.0 110.991 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -64.58 -22.19 66.9 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.191 -0.943 . . . . 0.0 111.638 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.07 8.02 34.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.808 -1.183 . . . . 0.0 110.218 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.97 84.72 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -105.44 137.51 43.14 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.555 -0.967 . . . . 0.0 109.101 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.847 ' NZ ' HG23 ' A' ' 110' ' ' THR . 68.6 mttm -141.94 120.27 12.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.411 -0.806 . . . . 0.0 109.982 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.86 -177.78 3.22 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.4 p -101.28 162.32 12.98 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.251 -0.905 . . . . 0.0 109.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -38.83 79.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.12 -0.988 . . . . 0.0 109.922 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.1 -39.9 94.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.1 -1.0 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.23 -44.43 91.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.0 109.808 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.46 -37.33 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.66 -44.12 96.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.07 -1.019 . . . . 0.0 109.171 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.86 -38.24 90.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttt -58.54 -40.65 83.57 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 120.931 -1.106 . . . . 0.0 108.789 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.36 -44.68 97.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.397 -0.814 . . . . 0.0 109.361 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -61.26 -45.63 93.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.037 -1.04 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.33 -38.56 87.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.04 -1.038 . . . . 0.0 111.07 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.34 5.95 35.97 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.089 -1.007 . . . . 0.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -83.35 77.88 9.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.892 -1.13 . . . . 0.0 110.72 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -46.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.938 -1.101 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.2 p-10 -76.15 -25.9 55.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.005 -1.059 . . . . 0.0 109.222 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.53 19.71 61.5 Favored Glycine 0 N--CA 1.482 1.722 0 C-N-CA 119.232 -1.461 . . . . 0.0 109.913 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.0 p-10 -81.08 -8.52 59.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.11 -1.229 . . . . 0.0 110.515 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.46 -4.43 84.16 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.336 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.02 163.68 27.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.198 -1.178 . . . . 0.0 108.536 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -98.2 123.94 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.006 . . . . 0.0 108.412 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.33 -177.39 3.31 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.862 0.839 . . . . 0.0 110.613 -178.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.7 m-85 -59.09 -41.33 87.81 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.374 0.607 . . . . 0.0 109.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.22 -49.41 77.71 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.365 -0.834 . . . . 0.0 109.497 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' MET . 85.3 mt-10 -70.44 -41.0 73.44 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.449 -0.782 . . . . 0.0 109.704 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.75 -46.67 88.59 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.792 -0.568 . . . . 0.0 111.162 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.42 -45.27 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.058 -1.651 . . . . 0.0 107.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -73.8 -20.47 60.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.092 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.1 tmt? . . . . . 0 C--N 1.297 -1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.802 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.7 p -108.72 156.91 19.05 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.557 0.694 . . . . 0.0 110.548 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.99 -39.71 94.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.529 -0.732 . . . . 0.0 110.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 41.6 mp0 -61.5 -38.67 88.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -61.25 -41.2 96.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.012 -1.055 . . . . 0.0 110.256 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.48 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.73 -1.232 . . . . 0.0 109.705 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.63 75.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.872 -1.142 . . . . 0.0 109.862 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.33 -43.11 99.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 0.0 110.395 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -87.18 -18.84 29.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.2 -43.08 96.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.854 -1.154 . . . . 0.0 109.15 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.47 -45.91 92.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.964 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.55 80.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 109.374 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -56.99 -45.39 83.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 0.0 111.139 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -63.23 -21.76 66.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.112 . . . . 0.0 111.858 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -42.08 87.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.404 -1.435 . . . . 0.0 110.032 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -69.8 -37.34 76.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.044 -1.035 . . . . 0.0 109.408 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 54.3 t0 -83.16 81.22 8.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.731 -1.231 . . . . 0.0 109.59 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.23 -22.95 66.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.22 -0.925 . . . . 0.0 109.851 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.02 -29.55 70.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.157 -0.964 . . . . 0.0 110.248 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.03 4.72 88.92 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 120.384 -1.447 . . . . 0.0 110.174 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.3 p30 -87.11 2.15 50.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.428 -1.042 . . . . 0.0 110.009 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.27 9.26 86.77 Favored Glycine 0 N--CA 1.49 2.249 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.442 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 73.4 p -136.38 150.48 48.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.195 -1.179 . . . . 0.0 109.116 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.34 129.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.425 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 66.7 p -107.91 157.27 18.34 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.238 0.542 . . . . 0.0 109.624 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -55.17 -34.59 63.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -65.82 -41.32 91.97 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.92 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 41.9 mt-10 -65.88 -42.53 90.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.453 -0.779 . . . . 0.0 111.722 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -55.32 8.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.013 -1.054 . . . . 0.0 110.417 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.16 96.1 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.319 -1.42 . . . . 0.0 109.871 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.9 m -59.73 -46.35 89.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.91 -1.347 . . . . 0.0 109.409 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.74 -39.92 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.643 -1.286 . . . . 0.0 109.738 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.2 ttp -64.94 -34.78 79.22 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.635 -1.291 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -57.48 -34.48 69.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.314 -0.866 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.622 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -54.29 -33.42 58.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 109.072 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 22.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.165 -0.959 . . . . 0.0 108.763 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 61.17 47.2 92.31 Favored Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -124.29 163.7 21.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.59 -0.947 . . . . 0.0 110.604 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 13.0 p30 -143.29 76.39 16.36 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.43 162.52 39.96 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.633 2.222 . . . . 0.0 112.923 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -105.67 168.39 9.14 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.803 0.811 . . . . 0.0 110.371 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -59.94 -42.91 95.02 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.804 -0.56 . . . . 0.0 110.208 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 110.12 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.13 -46.9 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.777 -1.202 . . . . 0.0 110.153 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.62 -40.41 92.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.135 -0.978 . . . . 0.0 109.685 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -63.11 -46.84 85.42 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.929 -1.107 . . . . 0.0 108.55 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.467 -0.77 . . . . 0.0 110.817 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.0 mtm -62.71 -51.89 65.4 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.012 -1.055 . . . . 0.0 110.628 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -37.77 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.951 -1.093 . . . . 0.0 110.663 -178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -56.68 -33.88 66.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.412 -0.805 . . . . 0.0 110.055 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.72 -19.22 48.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 111.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -133.65 25.32 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 O-C-N 121.076 -1.015 . . . . 0.0 111.635 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 68.3 t0 -90.29 103.45 16.13 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.609 -1.307 . . . . 0.0 108.712 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.32 -24.2 17.5 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.108 -0.995 . . . . 0.0 110.636 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.7 p30 -88.81 -9.54 51.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.88 -1.138 . . . . 0.0 109.02 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.35 24.17 68.91 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.64 1.03 55.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.413 -1.051 . . . . 0.0 109.796 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.11 18.75 76.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -141.9 161.2 38.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.17 -1.194 . . . . 0.0 107.895 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.1 mt -100.92 121.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 49.3 m-20 -89.45 153.78 20.56 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.051 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -48.06 -46.35 64.98 Favored Pre-proline 0 C--N 1.3 -1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 111.716 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.64 -37.21 81.22 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 CA-C-N 121.176 1.456 . . . . 0.0 110.903 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.95 -43.83 98.03 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.1 -43.85 98.25 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.569 0.699 . . . . 0.0 109.958 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.03 -40.74 85.95 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.819 0.818 . . . . 0.0 109.927 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -62.0 -45.08 95.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.743 -0.598 . . . . 0.0 109.438 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.39 -40.91 96.08 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.205 -0.935 . . . . 0.0 109.587 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.4 mmm -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.071 -1.018 . . . . 0.0 110.726 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.58 49.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.962 -1.086 . . . . 0.0 108.742 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.52 -26.63 61.65 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.591 -0.693 . . . . 0.0 109.511 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.29 -41.69 89.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -38.71 90.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 109.206 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -70.71 -16.11 62.76 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.005 -1.059 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 50.1 t0 56.62 53.16 8.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.301 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -67.97 0.82 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.199 -0.938 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.8 -17.07 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.886 -1.134 . . . . 0.0 108.818 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.444 ' OG ' ' OD1' ' A' ' 78' ' ' ASP . 89.8 p -49.23 -30.05 6.55 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -63.98 -36.84 85.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.989 -1.069 . . . . 0.0 109.337 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.95 -42.53 94.24 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.998 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.75 -24.68 62.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.779 -1.201 . . . . 0.0 111.159 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.33 -47.48 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.07 -1.019 . . . . 0.0 108.981 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.49 -38.44 87.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.576 -1.327 . . . . 0.0 110.327 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.84 -36.88 84.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.006 -1.059 . . . . 0.0 109.832 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.31 63.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.201 -0.937 . . . . 0.0 109.845 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 28.5 t80 -57.74 -39.58 77.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.081 -1.012 . . . . 0.0 108.905 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -64.3 -40.24 95.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.391 -0.818 . . . . 0.0 110.578 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.57 -39.6 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 109.794 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.24 -41.97 66.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.422 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.65 86.39 6.99 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.867 -1.145 . . . . 0.0 110.25 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -77.12 -22.12 53.14 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.077 -1.015 . . . . 0.0 111.035 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 98.0 m-20 -68.52 -29.42 68.01 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.857 -1.152 . . . . 0.0 110.61 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.44 88.12 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.6 p-10 -68.83 -8.32 42.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 109.512 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.71 2.53 86.7 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.4 m-85 -135.81 144.96 46.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.8 mt -96.44 128.23 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 109.796 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -106.05 164.88 11.63 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.206 -0.934 . . . . 0.0 110.425 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.48 90.29 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.873 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.1 84.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.27 -1.518 . . . . 0.0 108.472 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.7 mt-10 -60.85 -41.28 95.55 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.108 -0.995 . . . . 0.0 109.754 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.83 -42.11 86.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 110.881 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.1 -38.63 86.99 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.636 -1.29 . . . . 0.0 110.07 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -64.65 -62.39 1.61 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.325 -0.859 . . . . 0.0 112.996 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.34 -40.25 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.027 -1.046 . . . . 0.0 109.491 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.417 ' SD ' HD23 ' A' ' 105' ' ' LEU . 96.9 mtp -62.75 -38.58 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 110.046 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -65.58 -40.29 92.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -0.929 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.9 -22.52 66.96 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.069 -1.019 . . . . 0.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.3 mt -91.86 7.04 43.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.739 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.49 12.75 82.64 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -102.17 127.95 48.89 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.944 . . . . 0.0 109.168 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -137.8 118.88 14.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.518 -0.739 . . . . 0.0 109.418 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -113.18 -175.63 2.71 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -101.3 159.36 15.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.1 p-10 -57.36 -36.43 71.2 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.239 -0.913 . . . . 0.0 110.085 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.533 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -63.7 -39.84 95.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.25 -44.99 90.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.227 -0.92 . . . . 0.0 109.809 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.79 -37.85 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.06 -44.79 96.86 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.209 -0.932 . . . . 0.0 109.594 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -37.64 88.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.941 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 ttt -57.69 -40.14 78.76 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 120.942 -1.099 . . . . 0.0 108.478 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.31 -41.52 89.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.61 -42.8 98.18 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.387 -0.821 . . . . 0.0 111.315 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.42 -40.01 77.52 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.918 -1.114 . . . . 0.0 111.161 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.07 27.26 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.382 -0.824 . . . . 0.0 111.038 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.21 76.44 8.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.936 -1.103 . . . . 0.0 110.442 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.39 -47.3 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.977 -1.077 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.1 p-10 -75.94 -26.0 56.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.841 -1.162 . . . . 0.0 108.947 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.66 20.0 62.62 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.806 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 54.6 p-10 -80.22 -8.37 59.41 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.153 -1.204 . . . . 0.0 110.231 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.38 -4.61 85.39 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.363 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.1 mp0 -130.72 164.43 25.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -1.188 . . . . 0.0 108.71 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.5 124.03 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.28 -176.82 3.16 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.941 0.877 . . . . 0.0 110.607 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.594 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 9.5 m-85 -59.52 -41.3 89.63 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.59 -49.83 75.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.329 -0.857 . . . . 0.0 109.558 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' MET . 93.5 mt-10 -69.02 -41.89 77.13 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.283 -0.885 . . . . 0.0 109.736 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.98 -47.93 84.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.636 -0.665 . . . . 0.0 111.176 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.245 -1.534 . . . . 0.0 107.936 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -74.52 -21.92 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 111.124 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.5 tmt? . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.165 -0.959 . . . . 0.0 110.957 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p -108.34 157.28 18.52 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.664 0.745 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.74 -38.2 90.23 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.716 -0.615 . . . . 0.0 109.656 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.05 -35.18 77.83 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.301 -0.875 . . . . 0.0 110.743 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -59.07 -38.88 80.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.836 -1.165 . . . . 0.0 109.833 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -60.33 -38.14 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.587 -1.32 . . . . 0.0 108.448 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.93 74.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.33 -42.76 96.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.887 -1.133 . . . . 0.0 109.832 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.07 -13.83 46.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.063 -1.023 . . . . 0.0 108.869 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.99 -44.38 92.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.861 -1.149 . . . . 0.0 109.527 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.07 -46.0 89.37 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.296 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.69 74.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.486 -0.759 . . . . 0.0 110.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -57.49 -47.4 82.0 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.037 -1.039 . . . . 0.0 111.451 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -59.69 -37.06 77.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.852 -1.155 . . . . 0.0 111.389 -177.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -39.77 71.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.77 -1.206 . . . . 0.0 110.382 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -67.49 -39.98 85.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.622 -1.298 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -83.5 85.9 7.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.669 -1.269 . . . . 0.0 109.557 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.66 -34.84 76.43 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -23.98 67.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.107 . . . . 0.0 110.004 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 18.22 75.9 Favored Glycine 0 N--CA 1.497 2.749 0 O-C-N 120.553 -1.342 . . . . 0.0 110.113 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -91.45 4.79 51.65 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.306 -1.114 . . . . 0.0 109.863 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 8.21 87.91 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -135.75 148.22 48.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.335 -1.097 . . . . 0.0 109.143 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.8 mt -101.46 130.98 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -108.16 157.52 18.23 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.303 0.573 . . . . 0.0 110.221 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 p -55.26 -36.35 65.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.329 -0.857 . . . . 0.0 110.233 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -64.73 -41.85 95.63 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.036 -1.04 . . . . 0.0 109.729 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -41.08 91.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 111.638 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -57.66 4.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.888 -1.133 . . . . 0.0 110.768 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.21 98.1 Favored Glycine 0 N--CA 1.485 1.944 0 C-N-CA 119.361 -1.4 . . . . 0.0 110.28 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -60.46 -46.64 89.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.978 -1.307 . . . . 0.0 109.422 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.57 -39.33 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 120.741 -1.224 . . . . 0.0 109.543 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.413 ' HG3' HE22 ' A' ' 41' ' ' GLN . 50.9 ttp -64.99 -34.06 77.54 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.901 -1.124 . . . . 0.0 108.81 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -58.02 -34.53 70.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.39 -0.819 . . . . 0.0 109.391 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.2 t -55.81 -37.26 68.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 109.362 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.544 ' CB ' HE21 ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.95 21.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.173 -0.954 . . . . 0.0 108.925 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.51 39.96 94.15 Favored Glycine 0 N--CA 1.483 1.806 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.544 HE21 ' CB ' ' A' ' 39' ' ' LEU . 36.6 mt-30 -112.38 154.66 25.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.565 -0.962 . . . . 0.0 109.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.9 p30 -141.64 69.46 25.42 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.548 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.61 160.85 37.73 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.739 2.292 . . . . 0.0 112.716 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.1 p -102.97 167.73 9.65 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.714 0.768 . . . . 0.0 109.764 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -59.98 -43.6 95.01 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.005 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.56 94.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.16 -0.962 . . . . 0.0 110.067 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.83 -45.85 87.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.137 . . . . 0.0 109.916 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.14 -38.62 85.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.61 -46.05 91.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.898 -1.126 . . . . 0.0 109.624 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -61.27 -43.78 98.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 110.547 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.46 -58.94 6.31 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -37.44 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.301 -0.874 . . . . 0.0 110.517 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.82 -36.7 72.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.26 -0.9 . . . . 0.0 110.76 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.68 -21.35 64.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.928 -1.108 . . . . 0.0 111.649 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.2 p -125.62 21.51 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.099 -1.001 . . . . 0.0 111.19 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 68.0 t0 -88.45 100.67 13.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.805 -1.184 . . . . 0.0 108.807 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -24.25 17.43 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.254 -0.904 . . . . 0.0 110.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.515 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 28.5 p30 -91.62 -8.14 48.1 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.815 -1.178 . . . . 0.0 109.208 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.8 25.01 68.74 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.515 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.6 p30 -94.79 0.64 55.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.263 -1.139 . . . . 0.0 109.941 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.4 20.35 75.23 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -141.0 162.37 35.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -1.17 . . . . 0.0 108.135 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -102.33 123.49 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.835 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -98.87 160.8 14.01 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.262 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -52.12 16.0 Favored Pre-proline 0 C--N 1.301 -1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 111.548 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.61 -38.49 71.91 Favored 'Trans proline' 0 N--CA 1.488 1.201 0 CA-C-N 119.907 1.003 . . . . 0.0 111.147 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.39 -45.11 92.61 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.5 -47.67 80.76 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.502 0.668 . . . . 0.0 111.599 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.04 -38.02 81.54 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.973 0.892 . . . . 0.0 109.464 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -64.33 -42.74 96.14 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.6 ttp -64.64 -42.31 95.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.99 -1.069 . . . . 0.0 109.486 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.51 -40.92 93.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 110.401 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.57 50.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.177 . . . . 0.0 109.213 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.02 -20.11 22.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.39 -0.819 . . . . 0.0 110.287 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.6 -43.71 84.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.196 -0.94 . . . . 0.0 108.581 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.42 90.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.375 -0.828 . . . . 0.0 109.099 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -70.42 -24.63 62.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.001 -1.062 . . . . 0.0 109.482 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t0 58.05 55.36 5.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.286 -0.884 . . . . 0.0 110.106 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -69.77 0.74 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.139 -0.975 . . . . 0.0 109.784 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -87.03 -17.86 31.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.869 -1.144 . . . . 0.0 108.805 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -49.32 -33.74 14.0 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.13 -43.5 98.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.945 -1.097 . . . . 0.0 108.828 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.62 -39.85 91.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.42 -35.7 71.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.31 -42.74 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.61 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -67.42 -37.62 83.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.04 -39.31 93.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.969 -1.082 . . . . 0.0 109.885 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.99 -26.92 28.45 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.1 t80 -55.57 -39.81 71.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -64.99 -39.84 94.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.454 -0.779 . . . . 0.0 110.538 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -39.44 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -71.81 -40.24 69.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -83.59 82.24 8.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.967 -1.083 . . . . 0.0 110.524 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.42 -39.17 93.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.594 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.7 m-20 -67.42 -28.97 68.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.161 -0.962 . . . . 0.0 110.401 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 13.03 83.68 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 16.4 p-10 -68.83 -9.25 50.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.132 -1.217 . . . . 0.0 109.468 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.77 3.05 71.41 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.424 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.6 m-85 -139.48 144.04 37.79 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.9 mp -96.63 129.47 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.013 -1.055 . . . . 0.0 109.486 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.3 p -106.04 165.7 11.03 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.97 0.89 . . . . 0.0 110.596 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.63 92.1 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.825 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.62 87.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.32 -1.488 . . . . 0.0 108.699 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 84.2 mt-10 -61.21 -40.94 95.86 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.442 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.41 -40.02 92.86 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.434 -0.791 . . . . 0.0 110.426 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -62.07 -38.88 90.47 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.623 -1.298 . . . . 0.0 110.016 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -64.69 -61.19 2.34 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.277 -0.89 . . . . 0.0 112.484 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.49 -41.21 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.136 -0.978 . . . . 0.0 109.729 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.442 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.4 mtp -63.36 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.944 -1.097 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -65.86 -40.29 91.54 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.175 -0.953 . . . . 0.0 111.011 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.42 -23.21 67.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.128 -0.982 . . . . 0.0 111.655 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.9 mt -87.35 8.86 22.57 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.676 -1.265 . . . . 0.0 110.1 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.33 11.1 84.63 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -105.32 138.81 40.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.626 -0.926 . . . . 0.0 109.091 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -143.58 120.4 11.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -0.797 . . . . 0.0 109.754 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.8 -177.1 3.05 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -100.79 162.14 13.11 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.302 -0.874 . . . . 0.0 109.034 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.45 -40.22 82.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.149 -0.969 . . . . 0.0 110.127 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.68 -39.8 92.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.13 -43.84 94.05 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -71.69 -37.61 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -60.47 -45.02 95.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.121 -0.987 . . . . 0.0 109.013 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.45 -36.68 84.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.87 -41.45 82.51 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.979 -1.076 . . . . 0.0 108.483 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.83 -41.51 92.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -59.8 -46.44 89.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 0.0 110.614 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.39 -39.03 85.59 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.097 -1.002 . . . . 0.0 111.644 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.22 -7.91 59.21 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.701 -1.249 . . . . 0.0 110.458 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.12 92.45 5.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.986 -1.071 . . . . 0.0 110.428 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.86 -45.13 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.285 -0.885 . . . . 0.0 111.722 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p30 -94.32 -25.84 16.82 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.935 -1.103 . . . . 0.0 110.282 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 110.82 -113.25 3.42 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 107.559 -2.216 . . . . 0.0 107.559 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER 62.24 -20.06 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.056 -1.261 . . . . 0.0 110.283 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 81.17 3.86 90.59 Favored Glycine 0 N--CA 1.494 2.502 0 O-C-N 120.783 -1.198 . . . . 0.0 110.755 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.575 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 40.0 mt-30 -142.11 -178.56 5.77 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.062 -1.258 . . . . 0.0 109.317 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.07 126.58 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.82 176.61 5.08 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.987 0.898 . . . . 0.0 110.477 -178.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 5.7 m-85 -58.21 -38.81 77.52 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.19 -49.34 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.486 -0.759 . . . . 0.0 109.81 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.89 -39.81 76.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.357 -0.839 . . . . 0.0 109.207 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.66 -46.64 84.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.897 -0.502 . . . . 0.0 110.798 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.7 -43.44 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 O-C-N 119.939 -1.726 . . . . 0.0 108.039 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.02 -40.35 97.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.486 -0.758 . . . . 0.0 110.262 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 110.45 -179.061 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.4 tp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -108.39 155.74 20.22 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.689 0.756 . . . . 0.0 110.639 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -66.6 -40.8 89.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.604 -0.685 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -63.33 -38.72 92.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.164 -0.96 . . . . 0.0 110.455 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -39.88 91.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.059 -1.026 . . . . 0.0 109.944 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.83 -38.83 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.78 73.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.922 -1.111 . . . . 0.0 109.526 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.746 -1.221 . . . . 0.0 110.406 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.68 -21.23 28.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.78 -43.35 99.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.694 -1.254 . . . . 0.0 108.942 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.43 -46.31 89.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.12 86.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.944 . . . . 0.0 109.337 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.19 -45.49 87.49 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 111.054 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -59.76 -37.01 77.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.003 -1.061 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -41.46 68.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.676 -1.265 . . . . 0.0 110.207 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -67.8 -38.07 82.84 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.753 -1.217 . . . . 0.0 109.62 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -84.5 84.36 7.68 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.703 -1.248 . . . . 0.0 110.077 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.81 -26.77 68.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.125 -0.984 . . . . 0.0 110.391 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.15 -26.99 69.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.938 -1.101 . . . . 0.0 109.92 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.29 13.61 79.64 Favored Glycine 0 N--CA 1.496 2.672 0 O-C-N 120.529 -1.357 . . . . 0.0 110.357 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -93.92 5.83 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.298 -1.119 . . . . 0.0 109.84 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.78 11.99 84.91 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -137.2 148.5 46.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -1.105 . . . . 0.0 109.026 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -105.32 130.44 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -106.25 156.54 18.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -54.67 -36.33 64.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.261 -0.899 . . . . 0.0 110.201 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -65.46 -41.98 92.82 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.978 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.611 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -56.14 6.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.54 97.11 Favored Glycine 0 N--CA 1.486 2.027 0 C-N-CA 119.191 -1.48 . . . . 0.0 109.868 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 93.9 m -59.23 -47.34 85.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.756 -1.438 . . . . 0.0 109.518 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.76 -38.24 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.67 -1.269 . . . . 0.0 109.388 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.9 ttp -65.6 -35.89 82.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.019 -1.051 . . . . 0.0 109.217 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' NH2' ' N ' ' A' ' 34' ' ' THR . 68.1 mtm-85 -57.21 -30.65 64.74 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.189 -0.945 . . . . 0.0 109.264 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.1 t -56.85 -37.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 18.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.48 43.54 92.2 Favored Glycine 0 N--CA 1.488 2.108 0 O-C-N 121.289 -0.882 . . . . 0.0 111.385 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -113.05 153.92 27.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.353 -1.086 . . . . 0.0 110.038 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -140.0 68.61 35.25 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.65 164.45 25.79 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 123.168 2.578 . . . . 0.0 113.031 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 p -104.02 163.93 12.05 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.705 0.764 . . . . 0.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -59.77 -42.65 93.79 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.011 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.33 93.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.005 . . . . 0.0 110.298 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.11 -46.86 85.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.836 -1.165 . . . . 0.0 110.249 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.98 -36.69 80.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.179 -0.951 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.37 -47.58 84.89 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.942 -1.099 . . . . 0.0 109.882 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' OE2' ' A' ' 54' ' ' GLU . 67.0 t0 -60.0 -43.61 95.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.873 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.8 mtt -63.92 -53.69 46.45 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.127 -0.983 . . . . 0.0 110.67 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -38.83 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.422 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -59.7 -39.63 85.23 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.379 -0.826 . . . . 0.0 111.537 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 50' ' ' ASP . 87.9 mt-10 -61.29 -40.07 92.76 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.036 -1.04 . . . . 0.0 112.255 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.49 3.57 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.812 -1.18 . . . . 0.0 110.474 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -79.41 108.41 12.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.016 -1.053 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.37 -24.66 17.28 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 41.6 p30 -91.71 -5.31 53.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.807 -1.183 . . . . 0.0 109.648 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.88 27.25 66.54 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -92.34 -0.01 57.41 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.182 -1.187 . . . . 0.0 109.696 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.35 15.72 78.91 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.416 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.4 p -141.28 162.77 34.7 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -1.187 . . . . 0.0 108.061 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.56 121.78 54.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 39.0 m-20 -90.35 154.0 20.01 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.781 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -47.51 -47.44 59.48 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.221 -0.924 . . . . 0.0 111.684 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.72 -37.55 86.58 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 CA-C-N 121.02 1.4 . . . . 0.0 110.905 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.31 -44.28 96.87 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.84 -45.07 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.363 0.602 . . . . 0.0 109.973 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.0 -39.37 78.09 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.052 0.93 . . . . 0.0 109.088 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -61.55 -45.51 93.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.85 -40.27 96.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 109.832 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.211 -0.93 . . . . 0.0 111.255 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.78 50.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.838 -1.164 . . . . 0.0 109.692 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 78' ' ' ASP . 26.7 tpt180 -58.43 -33.32 69.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.484 -0.76 . . . . 0.0 110.512 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.93 -46.91 84.29 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 109.122 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.2 -37.97 78.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.931 . . . . 0.0 110.728 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.15 -6.28 48.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.851 -1.156 . . . . 0.0 110.051 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' ARG . 12.9 t0 -170.39 -178.95 2.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.982 -1.074 . . . . 0.0 109.704 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.25 82.61 2.02 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.497 0.665 . . . . 0.0 109.894 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.11 -0.99 57.89 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -77.03 5.98 7.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -57.17 -36.02 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.87 -41.23 97.61 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.36 -37.28 84.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.305 -0.872 . . . . 0.0 109.121 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.67 -47.91 87.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -68.05 -39.77 82.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.663 -1.273 . . . . 0.0 110.454 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -70.96 -37.48 72.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.918 -1.114 . . . . 0.0 110.299 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.75 74.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.351 -0.843 . . . . 0.0 110.727 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.1 t80 -57.43 -39.52 76.43 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.943 -1.098 . . . . 0.0 109.032 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.56 -40.05 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.562 -0.712 . . . . 0.0 110.284 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.87 -40.84 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.206 -0.934 . . . . 0.0 109.502 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.79 -41.81 64.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -0.852 . . . . 0.0 110.104 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 30.5 t0 -81.19 82.67 7.02 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.029 -1.044 . . . . 0.0 110.221 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.78 -42.98 94.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.451 -0.78 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.9 p30 -68.96 -27.01 65.34 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.85 -1.156 . . . . 0.0 110.945 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.86 16.58 80.36 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.449 -1.357 . . . . 0.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.525 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 44.1 p-10 -72.12 -5.31 34.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.958 -1.319 . . . . 0.0 108.953 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 -0.04 82.52 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.664 -1.775 . . . . 0.0 108.664 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 49.8 m-85 -135.66 143.27 45.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.53 128.09 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.605 -1.309 . . . . 0.0 109.427 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 p -105.53 166.75 10.22 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.88 0.848 . . . . 0.0 110.639 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.21 91.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.826 -0.546 . . . . 0.0 111.833 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.16 83.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.366 -1.459 . . . . 0.0 108.483 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -61.67 -40.93 96.68 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 0.0 110.098 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -67.63 -41.31 84.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.425 -0.797 . . . . 0.0 111.369 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -64.09 -37.09 86.19 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.228 -1.545 . . . . 0.0 109.959 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -65.02 -60.6 2.85 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.87 . . . . 0.0 112.651 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.08 -40.19 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.012 -1.055 . . . . 0.0 109.508 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.8 mtp -62.48 -38.6 90.49 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.085 -1.009 . . . . 0.0 110.063 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -65.11 -40.23 94.24 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 110.832 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.36 -22.31 66.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.128 -0.982 . . . . 0.0 111.014 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.57 8.06 36.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.934 -1.104 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.13 14.02 82.28 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -104.42 136.08 44.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.54 -0.976 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -142.47 120.08 11.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.981 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.35 -176.74 2.97 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.5 p -101.2 162.78 12.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.202 -0.937 . . . . 0.0 109.209 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.2 -38.85 80.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.37 -40.12 95.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.076 -1.015 . . . . 0.0 109.418 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.09 -44.25 92.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.131 -0.981 . . . . 0.0 109.779 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.13 -37.87 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.97 -44.96 95.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.12 -38.11 89.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 109.679 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 ttt -58.79 -40.62 84.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.83 -44.01 89.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.261 -0.899 . . . . 0.0 109.252 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.73 -47.46 85.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.697 -1.252 . . . . 0.0 110.768 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.61 -39.91 73.49 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.995 -1.066 . . . . 0.0 112.021 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.75 -18.58 56.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 111.571 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -68.8 97.81 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.929 -1.107 . . . . 0.0 110.757 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.65 -46.51 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.9 p30 -72.16 -24.97 61.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 0.0 108.475 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.573 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 87.19 16.37 60.92 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 52.6 p-10 -80.56 -5.58 56.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.34 -1.094 . . . . 0.0 110.201 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.53 84.7 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.711 -1.233 . . . . 0.0 110.17 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -137.95 156.61 47.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 121.63 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.051 -1.031 . . . . 0.0 108.603 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.74 -177.07 3.26 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.966 0.888 . . . . 0.0 110.309 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.0 m-85 -60.68 -40.49 92.37 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.94 -50.81 72.29 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.342 -0.849 . . . . 0.0 109.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 87.6 mt-10 -68.08 -41.08 82.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.251 -0.906 . . . . 0.0 109.295 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.853 -0.529 . . . . 0.0 111.2 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.4 -39.48 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.288 -1.508 . . . . 0.0 108.664 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.05 -38.64 86.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.618 -0.676 . . . . 0.0 112.361 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.0 mmt . . . . . 0 N--CA 1.501 2.108 0 O-C-N 120.497 -1.377 . . . . 0.0 110.664 -176.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 4' ' ' LEU . 19.0 tp . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -108.58 155.75 20.31 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.707 0.765 . . . . 0.0 110.345 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -37.24 84.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.706 -0.621 . . . . 0.0 109.633 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.21 -33.0 74.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.929 . . . . 0.0 109.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -58.33 -39.57 79.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.79 -37.57 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.776 -1.203 . . . . 0.0 108.614 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.11 75.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.952 -1.092 . . . . 0.0 110.481 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.67 -44.61 96.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 110.111 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.66 -13.51 45.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 108.885 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.26 -46.84 87.02 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.883 -1.136 . . . . 0.0 109.48 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -59.81 -47.18 86.74 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.227 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.34 86.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.309 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.44 -46.74 83.24 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.107 -0.996 . . . . 0.0 110.886 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -60.01 -39.42 85.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.038 -1.039 . . . . 0.0 111.238 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -42.04 70.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.729 -1.232 . . . . 0.0 110.489 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.09 -39.53 86.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.597 -1.315 . . . . 0.0 108.98 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 49.9 t0 -85.03 81.27 8.96 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.686 -1.259 . . . . 0.0 109.675 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -64.61 -22.89 67.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.938 . . . . 0.0 109.925 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.39 -30.74 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.102 -0.999 . . . . 0.0 110.465 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.68 5.78 86.49 Favored Glycine 0 N--CA 1.496 2.661 0 O-C-N 120.334 -1.478 . . . . 0.0 110.253 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -87.48 2.2 51.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.26 -1.141 . . . . 0.0 109.824 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.86 7.45 88.56 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.383 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 66.7 p -134.98 148.8 50.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.184 -1.186 . . . . 0.0 108.873 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.6 mt -101.23 130.02 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.8 p -107.31 157.9 17.57 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.437 0.637 . . . . 0.0 109.84 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -56.01 -34.54 65.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.31 -40.52 90.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.041 -1.037 . . . . 0.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 37.0 mt-10 -66.06 -41.15 91.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.699 . . . . 0.0 111.976 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -56.39 6.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.079 . . . . 0.0 110.678 -177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.55 93.9 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.289 -1.434 . . . . 0.0 110.282 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.0 m -59.22 -46.66 87.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.672 -1.487 . . . . 0.0 108.976 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.01 -40.12 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.767 -1.208 . . . . 0.0 110.169 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.5 ttp -64.78 -35.26 80.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.641 -1.287 . . . . 0.0 109.583 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -59.27 -29.19 67.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.159 -0.963 . . . . 0.0 109.403 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -58.01 -34.71 70.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.219 -0.926 . . . . 0.0 108.777 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 21.82 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 108.926 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 41.05 98.17 Favored Glycine 0 N--CA 1.483 1.803 0 O-C-N 120.976 -1.078 . . . . 0.0 110.669 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -119.96 157.13 29.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.601 -0.94 . . . . 0.0 109.373 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -142.27 74.27 20.81 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.512 -0.742 . . . . 0.0 109.823 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.24 162.37 34.01 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.652 2.234 . . . . 0.0 112.912 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -102.07 170.01 8.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.661 0.743 . . . . 0.0 110.113 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -60.1 -43.64 95.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.239 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.45 94.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.072 -1.017 . . . . 0.0 109.96 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.62 -46.72 84.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.704 -1.247 . . . . 0.0 109.957 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.12 -39.71 86.7 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.323 -0.86 . . . . 0.0 110.342 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.714 HE22 ' ND2' ' A' ' 53' ' ' ASN . 10.7 tm0? -64.99 -41.78 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.0 -1.062 . . . . 0.0 108.437 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -67.14 -42.33 84.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.494 -0.754 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.8 mtm -60.94 -50.28 74.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.056 -1.027 . . . . 0.0 110.654 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -33.0 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.934 -1.104 . . . . 0.0 109.985 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.714 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.1 m-20 -58.27 -26.49 63.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.001 -1.062 . . . . 0.0 110.34 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.19 -21.83 65.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.078 -1.014 . . . . 0.0 110.615 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -134.26 25.95 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.277 -0.889 . . . . 0.0 111.719 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -91.3 104.12 16.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.727 -1.233 . . . . 0.0 109.104 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.64 -24.04 18.04 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.128 -0.982 . . . . 0.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 30.5 p30 -92.19 -8.22 46.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.864 -1.148 . . . . 0.0 109.223 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.05 24.94 69.06 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p-10 -95.28 0.95 54.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.31 -1.112 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.98 22.04 75.65 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.8 p -140.73 161.24 38.24 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.12 125.07 61.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.831 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -99.89 160.19 14.5 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.609 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -53.01 11.96 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.571 -0.706 . . . . 0.0 111.631 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.63 -37.47 68.99 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 CA-C-N 120.216 1.113 . . . . 0.0 111.111 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.33 -45.17 92.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.2 -48.02 81.85 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.383 0.611 . . . . 0.0 111.71 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.72 -38.61 85.65 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 121.831 0.824 . . . . 0.0 109.545 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.5 m -62.26 -43.23 99.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.0 ttp -63.4 -39.79 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.158 -0.963 . . . . 0.0 109.563 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -60.27 -42.35 95.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.832 -1.168 . . . . 0.0 110.445 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.8 -23.63 45.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.814 -1.179 . . . . 0.0 108.785 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.64 -38.33 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.61 -0.681 . . . . 0.0 109.936 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.28 -41.17 88.27 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.7 mtm -62.22 -36.95 83.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.518 -0.739 . . . . 0.0 109.438 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.83 -2.59 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.851 -1.155 . . . . 0.0 110.193 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 53.62 43.9 30.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.997 -1.064 . . . . 0.0 110.069 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -93.74 91.38 6.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.31 -0.869 . . . . 0.0 108.737 179.656 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.1 t0 75.81 -34.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.78 -1.2 . . . . 0.0 108.242 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 79' ' ' THR . 90.7 p -57.84 -21.19 41.29 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.1 pp20? -73.75 -35.92 65.08 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.705 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 88.5 tt0 -52.18 -29.8 24.01 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.607 -0.683 . . . . 0.0 109.95 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 26.8 mp0 -62.38 -15.47 48.93 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.38 -0.825 . . . . 0.0 109.506 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.163 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -67.02 -37.6 84.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.73 -1.231 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.25 -39.69 93.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.766 -1.209 . . . . 0.0 109.743 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.84 34.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.125 -0.984 . . . . 0.0 109.596 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 26.8 t80 -59.33 -40.53 86.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.063 -1.023 . . . . 0.0 109.005 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.69 -39.92 95.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.604 -0.685 . . . . 0.0 110.434 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -74.02 -41.56 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.142 -0.974 . . . . 0.0 109.639 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.76 -40.78 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.07 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -83.08 84.77 7.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.993 -1.067 . . . . 0.0 110.462 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.25 -39.76 93.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.656 -0.653 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.66 -29.59 68.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.98 -1.075 . . . . 0.0 110.832 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.09 13.45 81.08 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.491 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 28.5 p-10 -71.33 -5.54 33.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.04 -1.271 . . . . 0.0 109.297 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.06 -1.81 80.79 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 108.439 -1.864 . . . . 0.0 108.439 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 65.7 m-85 -135.06 143.8 46.89 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.93 130.49 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.894 -1.129 . . . . 0.0 109.947 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -106.87 165.1 11.58 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.123 0.964 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.56 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.897 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.8 83.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.353 -1.467 . . . . 0.0 108.732 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 73.5 mt-10 -61.22 -40.18 93.04 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.248 -0.907 . . . . 0.0 110.196 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -66.92 -38.08 85.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 111.461 -178.454 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -65.13 -35.75 82.09 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.163 -1.586 . . . . 0.0 110.252 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.21 -62.12 1.82 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.261 -0.899 . . . . 0.0 112.864 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.65 -39.97 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.013 -1.054 . . . . 0.0 109.069 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.463 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -63.16 -39.3 94.27 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.996 -1.065 . . . . 0.0 110.18 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -66.7 -40.54 88.52 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.139 -0.976 . . . . 0.0 111.478 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.0 -21.76 66.64 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.028 -1.045 . . . . 0.0 111.501 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -92.67 10.43 30.65 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.978 -1.076 . . . . 0.0 110.07 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.16 12.79 81.94 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -102.37 127.45 49.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.486 -1.008 . . . . 0.0 108.994 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -136.35 119.45 16.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.484 -0.76 . . . . 0.0 109.229 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -116.35 -177.12 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -101.25 161.86 13.31 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 109.24 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.8 p-10 -58.39 -37.46 75.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 110.253 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 70.7 mm-40 -62.97 -40.38 97.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 109.17 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.86 -43.75 91.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 109.675 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -72.61 -35.4 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.74 -43.21 94.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 109.291 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.91 -37.63 88.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.238 -0.914 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 mtt -53.05 -39.89 63.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.035 -1.041 . . . . 0.0 109.12 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -67.04 -41.66 87.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.405 -0.809 . . . . 0.0 109.825 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.13 -47.25 85.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.805 -1.185 . . . . 0.0 110.596 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.07 -41.41 95.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.125 -0.985 . . . . 0.0 111.925 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.88 -7.95 56.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.837 -1.164 . . . . 0.0 111.677 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.1 88.79 4.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.471 -1.393 . . . . 0.0 110.203 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.39 -44.73 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.621 -0.674 . . . . 0.0 111.412 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.9 p30 -78.1 -23.38 47.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.049 . . . . 0.0 109.125 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.57 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.91 23.89 58.85 Favored Glycine 0 N--CA 1.482 1.756 0 C-N-CA 119.532 -1.318 . . . . 0.0 109.824 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 44.5 p30 -78.12 -11.19 59.9 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.378 -1.072 . . . . 0.0 110.417 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.85 -11.18 71.3 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.438 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.0 mp0 -130.83 162.68 29.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.28 -1.13 . . . . 0.0 108.604 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -98.29 123.8 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.584 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.2 -178.86 3.72 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.893 0.854 . . . . 0.0 110.56 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.1 m-85 -59.42 -39.86 84.82 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.63 -50.54 73.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.449 -0.782 . . . . 0.0 109.839 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.71 -40.76 84.27 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.099 -1.001 . . . . 0.0 109.245 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -63.5 -47.22 82.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.8 -0.563 . . . . 0.0 110.987 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.53 -42.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.469 0 O-C-N 119.864 -1.772 . . . . 0.0 107.971 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -62.9 -39.78 95.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.423 -0.798 . . . . 0.0 110.244 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.121 -0.987 . . . . 0.0 110.47 -179.133 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 p -107.33 156.8 18.51 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.933 0.873 . . . . 0.0 111.36 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.67 -35.72 76.94 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.282 0.563 . . . . 0.0 109.756 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.91 -39.7 86.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 0.0 109.952 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -63.03 -42.51 99.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.063 . . . . 0.0 110.216 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.07 -45.8 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.661 -1.274 . . . . 0.0 109.925 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.19 -43.3 99.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.932 -1.105 . . . . 0.0 110.775 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -87.9 -27.19 22.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.119 . . . . 0.0 110.658 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.52 -44.98 95.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.967 -1.083 . . . . 0.0 109.238 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.42 -46.88 88.44 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.862 . . . . 0.0 109.031 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -34.58 73.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 80.0 t80 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.169 -0.957 . . . . 0.0 111.537 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -59.67 -36.7 76.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.896 -1.127 . . . . 0.0 111.116 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -40.95 72.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.707 -1.246 . . . . 0.0 110.127 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -66.09 -40.01 90.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.781 -1.199 . . . . 0.0 109.314 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 26' ' ' THR . 52.7 t0 -84.64 80.99 9.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.621 -1.3 . . . . 0.0 109.712 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.08 -20.86 64.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 109.177 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -63.14 -27.52 69.43 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.581 -0.699 . . . . 0.0 109.878 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 9.28 68.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -92.77 4.02 54.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -1.165 . . . . 0.0 109.758 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 10.53 86.21 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.9 p -135.87 146.85 47.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.354 -1.086 . . . . 0.0 108.844 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -104.33 129.45 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.783 0.801 . . . . 0.0 108.997 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -105.58 157.37 17.44 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -54.64 -36.19 64.29 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.42 -40.7 89.7 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.051 -1.031 . . . . 0.0 110.057 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.8 -42.03 91.18 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.274 -0.891 . . . . 0.0 111.186 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -55.06 9.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.94 -40.42 96.87 Favored Glycine 0 N--CA 1.486 1.974 0 C-N-CA 119.264 -1.446 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -58.78 -46.51 87.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.667 -1.49 . . . . 0.0 109.2 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.3 -39.96 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.671 -1.268 . . . . 0.0 109.887 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 ttp -65.14 -37.59 87.91 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.598 -1.314 . . . . 0.0 109.205 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.48 -34.39 72.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.0 109.092 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.632 ' C ' ' H ' ' A' ' 40' ' ' GLY . 39.9 t -49.82 -34.89 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.196 -0.94 . . . . 0.0 108.775 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 20.54 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.632 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.32 46.55 94.08 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -119.21 166.16 13.31 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.998 0.904 . . . . 0.0 110.562 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -140.36 76.97 24.9 Favored Pre-proline 0 C--N 1.299 -1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -74.77 159.86 41.57 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.83 2.353 . . . . 0.0 112.736 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.9 p -106.93 164.78 11.84 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.827 0.822 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.49 -42.81 92.97 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.234 0.54 . . . . 0.0 110.151 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.76 93.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.79 -46.77 74.21 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 110.172 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.88 -40.4 87.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.191 -0.943 . . . . 0.0 110.176 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -63.81 -44.35 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.902 -1.124 . . . . 0.0 108.841 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.53 -39.77 92.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.491 -0.756 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.0 -58.67 6.54 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 110.961 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -37.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.466 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -58.49 -37.97 76.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.374 -0.829 . . . . 0.0 111.279 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.95 -16.72 32.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.919 -1.113 . . . . 0.0 111.154 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -134.98 25.11 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.116 -0.99 . . . . 0.0 111.846 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.5 t0 -87.33 99.78 12.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.588 -1.32 . . . . 0.0 108.802 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.23 -24.59 17.42 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.335 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.532 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 31.4 p30 -89.18 -11.11 44.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.921 -1.112 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 65.16 24.22 70.28 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.532 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 p-10 -95.77 0.87 52.87 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.361 -1.082 . . . . 0.0 110.004 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.27 21.3 75.75 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.513 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.5 p -141.31 162.25 35.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.125 -1.22 . . . . 0.0 107.974 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.6 mt -102.84 122.79 55.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.316 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 m-20 -92.47 157.76 16.39 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -49.83 -46.46 80.6 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 120.956 -1.09 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.1 -39.44 69.59 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 CA-C-N 120.867 1.345 . . . . 0.0 111.23 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.32 -43.9 97.76 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 35.2 t80 -61.58 -44.54 96.83 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.29 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -58.73 -39.98 82.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.988 0.899 . . . . 0.0 109.682 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -64.63 -42.78 95.25 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.854 -0.529 . . . . 0.0 109.681 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.04 -41.65 98.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.126 -0.983 . . . . 0.0 108.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.26 -41.88 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 110.645 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.32 -26.44 52.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.77 -1.206 . . . . 0.0 108.584 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.44 -43.49 96.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.384 -0.823 . . . . 0.0 109.515 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 ttp -60.19 -44.78 94.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.614 -0.679 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 87.3 tttt -61.73 -38.8 89.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.015 . . . . 0.0 109.267 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 6.9 t70 83.71 61.57 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.301 0.572 . . . . 0.0 109.792 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -73.57 0.68 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.328 -0.857 . . . . 0.0 109.237 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 81' ' ' SER . 55.4 p-10 -73.96 -17.43 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.205 . . . . 0.0 108.682 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.7 m -53.03 -28.08 22.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.618 -0.676 . . . . 0.0 109.532 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.5 -42.26 91.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.059 . . . . 0.0 108.35 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.39 -38.09 88.95 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.723 -0.611 . . . . 0.0 109.69 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -72.7 -18.34 61.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.389 -0.819 . . . . 0.0 110.519 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -61.28 -45.25 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.965 -1.084 . . . . 0.0 109.291 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -65.89 -39.57 90.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.285 . . . . 0.0 110.978 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -67.82 -37.12 81.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.005 -1.059 . . . . 0.0 110.586 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.07 72.67 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.244 -0.91 . . . . 0.0 110.381 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 34.4 t80 -58.05 -38.16 75.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.833 -1.167 . . . . 0.0 109.043 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -63.65 -37.24 86.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.542 -0.724 . . . . 0.0 109.58 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.41 -41.61 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.025 -1.047 . . . . 0.0 109.518 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -71.26 -41.54 69.93 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.564 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -84.6 87.26 7.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.01 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 64.0 tttm -66.41 -39.66 89.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.743 -0.598 . . . . 0.0 111.071 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.31 -29.38 68.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.997 -1.064 . . . . 0.0 110.92 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.28 13.4 82.84 Favored Glycine 0 N--CA 1.488 2.135 0 C-N-CA 119.42 -1.372 . . . . 0.0 109.834 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 33.0 p-10 -73.09 -5.54 39.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.955 -1.321 . . . . 0.0 109.467 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.08 85.68 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 43.4 m-85 -133.38 136.94 45.62 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.1 mt -95.06 124.19 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 110.514 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.8 p -95.09 167.51 11.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.272 -0.892 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.71 96.6 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.76 -0.587 . . . . 0.0 112.129 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.3 90.55 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.409 -1.432 . . . . 0.0 109.289 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 43.3 tt0 -63.56 -42.76 98.33 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.603 -0.686 . . . . 0.0 111.864 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.26 -36.61 84.67 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.961 -1.087 . . . . 0.0 110.447 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -64.43 -38.91 92.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.86 . . . . 0.0 110.803 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -57.48 -58.56 7.74 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.271 -0.893 . . . . 0.0 112.644 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.57 -44.0 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.061 -1.025 . . . . 0.0 109.33 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 113' ' ' GLY . 97.8 mtp -66.11 -38.83 89.17 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.695 -1.253 . . . . 0.0 110.553 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -65.57 -50.09 66.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.996 -1.065 . . . . 0.0 110.299 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.49 -38.64 68.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.109 -0.994 . . . . 0.0 111.663 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.17 9.94 25.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.62 -0.675 . . . . 0.0 111.632 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -150.69 -96.03 0.14 Allowed Glycine 0 N--CA 1.489 2.217 0 C-N-CA 119.151 -1.5 . . . . 0.0 109.739 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 109' ' ' MET . 25.1 pt-20 -172.79 148.92 1.92 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.564 -1.551 . . . . 0.0 109.032 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -73.44 133.32 43.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.005 -1.059 . . . . 0.0 109.586 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -107.78 -167.99 1.32 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -100.83 158.99 15.56 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.857 -1.152 . . . . 0.0 108.883 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.99 -39.09 84.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.291 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -62.14 -40.83 97.27 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.911 -1.118 . . . . 0.0 109.048 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.58 -44.72 95.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.287 -0.883 . . . . 0.0 109.848 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.66 -36.21 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 109.6 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -48.71 80.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.015 -1.053 . . . . 0.0 110.455 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.34 -38.35 89.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.14 -43.11 92.0 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.07 -1.019 . . . . 0.0 109.339 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.03 -38.69 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.254 -0.904 . . . . 0.0 109.078 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -59.5 -48.52 81.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.148 -0.97 . . . . 0.0 110.619 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.99 -43.63 82.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.162 -0.961 . . . . 0.0 112.085 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.37 60.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.204 -0.935 . . . . 0.0 111.515 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -68.38 98.78 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.829 -1.169 . . . . 0.0 110.233 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.77 -45.16 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.615 -0.678 . . . . 0.0 111.18 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p-10 -74.73 -25.38 59.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.066 -1.022 . . . . 0.0 108.666 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.17 19.33 59.19 Favored Glycine 0 N--CA 1.481 1.67 0 C-N-CA 119.444 -1.36 . . . . 0.0 109.908 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.2 p-10 -81.51 -4.98 57.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.241 -1.153 . . . . 0.0 110.072 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 -0.54 81.09 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -137.64 152.71 49.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.362 -1.081 . . . . 0.0 108.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 64.0 t -93.7 122.81 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.924 -1.11 . . . . 0.0 108.373 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.582 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.07 -179.28 3.89 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.748 0.785 . . . . 0.0 110.067 -177.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.4 m-85 -60.11 -38.87 84.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -59.87 -50.73 72.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.382 -0.824 . . . . 0.0 109.925 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 80.0 mt-10 -67.57 -39.68 84.89 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.064 0.935 . . . . 0.0 108.816 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -65.19 -45.22 85.73 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.288 -0.883 . . . . 0.0 110.89 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.47 -41.62 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.621 0 O-C-N 119.846 -1.784 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.5 -38.56 87.78 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.271 -0.893 . . . . 0.0 111.429 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.54 ' HE3' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.653 0 O-C-N 120.942 -1.099 . . . . 0.0 110.596 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.454 ' H ' HD13 ' A' ' 4' ' ' LEU . 39.3 p -105.06 156.91 17.62 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.82 0.819 . . . . 0.0 110.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.63 -38.36 87.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.72 -0.613 . . . . 0.0 110.998 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.69 -40.99 96.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.914 -1.116 . . . . 0.0 110.448 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -62.98 -44.86 94.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.012 . . . . 0.0 111.29 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.13 -45.06 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.506 -1.371 . . . . 0.0 109.68 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.01 93.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.854 -1.154 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.06 -44.31 96.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.949 -1.094 . . . . 0.0 111.294 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CG ' ' SD ' ' A' ' 72' ' ' MET . 10.7 m-85 -88.19 -30.94 19.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.876 -1.14 . . . . 0.0 110.899 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.44 -44.69 95.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.908 -1.12 . . . . 0.0 109.29 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.41 -47.86 84.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.133 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.47 74.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.395 -0.816 . . . . 0.0 110.057 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.61 -46.26 84.32 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.112 -0.992 . . . . 0.0 111.633 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -59.43 -36.94 76.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.782 -1.199 . . . . 0.0 110.927 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -41.3 78.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.718 -1.239 . . . . 0.0 109.897 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -66.25 -40.32 90.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.187 . . . . 0.0 109.057 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.8 t0 -84.79 81.79 8.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.725 -1.234 . . . . 0.0 109.755 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.11 -23.83 67.47 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.057 -1.027 . . . . 0.0 110.269 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.052 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.14 10.53 78.33 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 120.541 -1.349 . . . . 0.0 110.26 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -91.63 3.18 55.64 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.35 -1.088 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.03 8.33 87.92 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 69.8 p -135.16 148.7 49.79 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.333 -1.098 . . . . 0.0 108.905 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -104.44 130.83 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.1 p -108.67 158.54 17.51 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.9 p -54.96 -35.77 64.62 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.228 -0.92 . . . . 0.0 110.209 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.0 -41.55 95.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.767 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.85 -41.71 91.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.432 -0.793 . . . . 0.0 111.391 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -54.52 12.65 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.041 -1.037 . . . . 0.0 110.125 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.07 97.77 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.237 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.1 m -59.56 -46.08 89.96 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.901 -1.353 . . . . 0.0 109.827 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.43 -33.21 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.763 -1.211 . . . . 0.0 109.165 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 tpp -61.51 -32.82 72.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.969 -1.082 . . . . 0.0 109.783 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.43 -34.18 72.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.165 -0.96 . . . . 0.0 110.039 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -59.22 -37.46 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.16 -0.963 . . . . 0.0 108.706 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.8 11.38 0.14 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.403 -0.811 . . . . 0.0 108.818 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.36 36.87 93.22 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.569 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -114.36 159.36 20.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.479 -1.013 . . . . 0.0 109.632 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -141.53 69.9 26.03 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.56 159.99 47.64 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.471 2.114 . . . . 0.0 112.351 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.1 p -101.01 168.51 9.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.381 -0.824 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -59.63 -44.37 93.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.778 -0.576 . . . . 0.0 110.082 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.78 94.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 0.0 109.684 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.06 -46.32 81.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.908 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.64 -39.27 91.27 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.141 -0.974 . . . . 0.0 109.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -61.27 -44.8 96.65 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.98 -40.0 94.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.751 . . . . 0.0 109.763 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.0 mtt -62.53 -51.55 66.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.708 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.34 -38.0 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.17 -0.956 . . . . 0.0 110.7 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -57.78 -37.66 74.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.604 -0.685 . . . . 0.0 110.836 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 1.2 pp20? -61.3 -13.88 22.49 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.139 -0.976 . . . . 0.0 111.366 -178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -135.86 25.78 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 121.07 -1.019 . . . . 0.0 111.701 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -90.66 103.45 16.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.495 -1.378 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.07 -25.61 17.11 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.582 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -91.75 -7.2 50.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.792 -1.192 . . . . 0.0 109.136 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 61.72 25.32 65.41 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -94.13 0.59 55.92 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -1.119 . . . . 0.0 109.895 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.02 20.81 76.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 p -141.4 162.58 35.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.188 -1.183 . . . . 0.0 107.945 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -106.17 123.19 60.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.571 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.53 160.1 14.67 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.064 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -49.8 -45.29 79.8 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 111.254 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 -38.49 46.89 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 120.838 1.335 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.82 -45.09 94.22 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 30.4 t80 -61.58 -45.68 93.07 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.538 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.6 -39.92 89.9 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.18 0.991 . . . . 0.0 109.265 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -61.4 -44.17 97.61 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.24 -37.93 87.29 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.527 ' SD ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 mtp -60.89 -41.45 96.08 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.65 54.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.984 -1.073 . . . . 0.0 108.76 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.474 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 42.1 ttm180 -60.94 -38.24 85.12 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.421 -0.799 . . . . 0.0 110.528 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 77' ' ' LYS . 63.4 tttm -58.68 -47.42 84.59 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.172 -0.955 . . . . 0.0 110.298 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ptm -65.78 7.24 0.27 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.745 -1.222 . . . . 0.0 109.547 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 75' ' ' LYS . 67.5 mttm -115.09 -122.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -163.27 95.01 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.261 -1.524 . . . . 0.0 110.205 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -148.81 -73.13 0.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.143 -0.973 . . . . 0.0 108.56 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.57 -1.78 58.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -49.25 -42.61 41.25 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.87 -40.73 87.93 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.853 -1.154 . . . . 0.0 109.586 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.22 -44.43 83.84 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.546 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.15 -36.98 69.49 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.822 -1.174 . . . . 0.0 109.685 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.3 mt -67.48 -44.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.068 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.76 -38.79 80.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.109 -0.994 . . . . 0.0 110.714 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -65.36 -38.8 91.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.005 -1.059 . . . . 0.0 109.91 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.4 72.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.447 -0.783 . . . . 0.0 110.484 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.637 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.9 t80 -58.73 -38.97 79.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.986 -1.071 . . . . 0.0 108.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -62.54 -39.83 94.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.565 -0.71 . . . . 0.0 110.523 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.42 -40.04 24.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.051 -1.031 . . . . 0.0 109.453 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.24 -40.49 81.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 63.4 t0 -78.9 83.2 5.03 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.099 -1.001 . . . . 0.0 109.996 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -71.08 -42.19 69.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.417 -0.802 . . . . 0.0 111.301 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 14.0 p-10 -68.4 -27.58 66.34 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.821 -1.174 . . . . 0.0 110.727 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.49 80.38 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.545 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.8 p-10 -71.55 -4.2 25.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.775 -1.427 . . . . 0.0 108.638 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.9 -1.32 86.81 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.7 m-85 -135.34 140.19 44.88 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -89.58 118.33 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.303 -1.498 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.447 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 89.1 p -94.0 170.55 9.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 110.937 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.71 86.41 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.6 -0.688 . . . . 0.0 112.421 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.14 95.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.584 -1.322 . . . . 0.0 111.002 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 101' ' ' SER . 10.6 pt-20 -69.9 -27.1 64.52 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 111.883 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.9 tt -69.84 -38.02 76.35 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.765 -1.209 . . . . 0.0 110.994 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.07 -35.34 79.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.052 -1.03 . . . . 0.0 111.268 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.59 -56.16 25.71 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.18 -0.95 . . . . 0.0 112.813 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.38 -39.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.057 . . . . 0.0 108.539 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.578 ' SD ' HD23 ' A' ' 105' ' ' LEU . 95.2 mtp -62.23 -38.25 88.48 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.964 -1.085 . . . . 0.0 110.26 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.9 m -66.09 -40.01 90.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.217 -0.927 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.19 -22.6 66.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.896 -1.127 . . . . 0.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.49 10.08 33.93 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.095 -1.003 . . . . 0.0 109.791 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.2 18.69 80.02 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.11 140.9 40.63 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.492 -1.005 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -154.26 130.22 10.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.755 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -118.49 -173.04 2.39 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.2 p -98.27 162.61 13.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.084 -1.01 . . . . 0.0 109.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.15 -39.48 86.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.051 -1.03 . . . . 0.0 110.297 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.65 -40.07 95.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.046 . . . . 0.0 109.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -43.2 95.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.874 . . . . 0.0 109.686 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.92 -37.97 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.7 -46.3 90.27 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.101 -0.999 . . . . 0.0 110.055 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.49 -38.58 91.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.096 -1.003 . . . . 0.0 110.467 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.77 -39.63 89.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 0.0 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -70.08 -41.54 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 120.965 -1.084 . . . . 0.0 109.45 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.41 -47.77 84.27 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.158 -0.964 . . . . 0.0 110.722 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.52 -40.63 69.99 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.916 -1.115 . . . . 0.0 111.902 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.44 61.86 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.834 -1.166 . . . . 0.0 110.612 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -71.22 106.06 3.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.81 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -45.94 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.683 -0.636 . . . . 0.0 111.219 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p30 -75.69 -23.69 56.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 108.809 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 84.18 19.89 60.01 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -75.64 -10.36 59.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.372 -1.075 . . . . 0.0 109.938 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.41 -11.05 71.09 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.7 mp0 -130.77 159.76 36.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.256 -1.143 . . . . 0.0 108.469 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 123.2 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.52 -178.0 3.47 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.874 0.845 . . . . 0.0 110.603 -177.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.637 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 m-85 -60.62 -40.31 91.43 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.36 -49.28 78.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.252 -0.905 . . . . 0.0 109.768 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.09 -39.85 78.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.439 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -41.96 77.13 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.799 -0.563 . . . . 0.0 111.981 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.6 t -65.47 -40.05 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 120.054 -1.654 . . . . 0.0 109.314 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -61.41 -37.67 84.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 111.353 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 mmt . . . . . 0 N--CA 1.498 1.957 0 O-C-N 120.774 -1.204 . . . . 0.0 110.662 -177.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' LEU . 6.2 tp . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -108.96 157.09 18.98 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.35 -39.86 95.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 110.607 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.0 -38.78 89.91 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.974 -1.079 . . . . 0.0 110.822 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.03 -40.49 95.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.895 -1.128 . . . . 0.0 110.446 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.72 -40.57 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.493 -1.379 . . . . 0.0 109.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.54 75.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 109.679 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.58 -43.42 98.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.989 -1.069 . . . . 0.0 110.164 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.68 -19.94 26.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.981 -1.074 . . . . 0.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.47 -43.26 99.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.646 -1.283 . . . . 0.0 108.986 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.45 -46.2 89.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.0 109.398 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.91 85.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.195 -0.941 . . . . 0.0 109.365 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.83 -46.03 85.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.224 -0.922 . . . . 0.0 111.193 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.72 -21.77 66.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.062 . . . . 0.0 111.768 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -41.65 91.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.514 -1.366 . . . . 0.0 110.221 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.0 -37.0 75.56 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.063 -1.023 . . . . 0.0 109.75 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.8 t0 -82.73 83.03 7.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.657 -1.277 . . . . 0.0 109.877 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.1 -27.23 68.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.185 -0.947 . . . . 0.0 109.824 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.28 -28.2 69.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.0 109.697 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.05 13.05 81.28 Favored Glycine 0 N--CA 1.497 2.71 0 O-C-N 120.608 -1.307 . . . . 0.0 110.238 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -90.65 3.46 54.11 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.287 -1.125 . . . . 0.0 110.044 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.03 8.67 87.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 79.6 p -135.96 149.54 48.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -1.114 . . . . 0.0 109.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -102.92 130.69 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -104.62 155.13 19.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.264 0.554 . . . . 0.0 109.568 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.0 p -56.64 -31.99 64.89 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.268 -0.895 . . . . 0.0 110.372 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' OG1' ' A' ' 34' ' ' THR . 68.3 mttm -70.48 -39.05 74.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.975 -1.078 . . . . 0.0 109.615 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -41.42 92.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.275 -0.89 . . . . 0.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -55.8 7.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.066 -1.021 . . . . 0.0 110.348 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.3 -41.23 98.29 Favored Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.423 -1.37 . . . . 0.0 110.017 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -60.92 -47.06 88.14 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -1.2 . . . . 0.0 109.587 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.51 -37.99 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.657 -1.277 . . . . 0.0 109.345 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.0 ttp -63.98 -36.26 83.38 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.961 -1.087 . . . . 0.0 108.946 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -55.35 -34.83 64.59 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -58.33 -34.15 70.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -0.945 . . . . 0.0 108.774 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.1 tt -68.04 19.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.428 -0.795 . . . . 0.0 108.903 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 37.49 94.52 Favored Glycine 0 N--CA 1.484 1.855 0 O-C-N 121.109 -0.994 . . . . 0.0 110.85 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.22 161.65 20.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.447 -1.031 . . . . 0.0 109.753 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -141.31 71.57 26.9 Favored Pre-proline 0 C--N 1.301 -1.535 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.58 154.03 57.2 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.322 2.681 . . . . 0.0 112.641 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -106.96 166.05 10.89 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.687 0.756 . . . . 0.0 109.777 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.97 -42.92 95.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.614 -0.679 . . . . 0.0 110.043 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.16 95.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.171 -0.955 . . . . 0.0 110.048 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.14 -47.21 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.784 -1.198 . . . . 0.0 110.383 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.41 -40.93 73.58 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.268 -0.895 . . . . 0.0 111.799 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -62.58 -50.14 72.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.427 -1.421 . . . . 0.0 109.942 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.53 -43.84 98.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.6 mmm -63.36 -51.24 66.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 111.099 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -38.57 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 110.717 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.49 -39.11 82.69 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.473 -0.767 . . . . 0.0 111.694 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.77 -38.01 83.82 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.063 -1.023 . . . . 0.0 111.843 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.82 4.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 120.927 -1.108 . . . . 0.0 110.72 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -79.91 108.29 13.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.875 -1.141 . . . . 0.0 109.246 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.99 -23.94 17.84 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.277 -0.889 . . . . 0.0 110.783 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 33.0 p30 -92.79 -4.24 53.36 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.927 -1.108 . . . . 0.0 109.285 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.93 27.92 62.79 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.2 p-10 -93.27 1.26 57.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.264 -1.139 . . . . 0.0 109.981 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.91 16.95 76.63 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.404 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -141.29 160.58 39.81 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.19 -1.183 . . . . 0.0 107.869 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.4 mt -101.81 120.95 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.227 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -88.58 152.24 21.97 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.431 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.6 t80 -44.41 -53.21 14.97 Favored Pre-proline 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 111.648 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.1 Cg_endo -58.06 -33.91 97.84 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 120.67 1.275 . . . . 0.0 111.502 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.81 -43.94 91.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.694 -1.254 . . . . 0.0 107.685 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.32 -45.54 94.02 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.598 0.714 . . . . 0.0 110.389 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.48 -39.68 80.62 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.007 0.908 . . . . 0.0 109.666 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.1 m -61.94 -45.22 94.64 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.71 -39.37 93.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.109 -0.994 . . . . 0.0 110.072 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.99 -42.7 90.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 110.959 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.75 49.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.904 -1.123 . . . . 0.0 108.908 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 78' ' ' ASP . 52.4 ttt85 -62.75 -40.95 98.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.403 -0.811 . . . . 0.0 109.893 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 78' ' ' ASP . 55.4 tptt -59.87 -45.21 93.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 tpp -58.52 -39.64 80.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 0.0 109.468 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -105.02 11.63 33.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.277 -0.889 . . . . 0.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 74' ' ' ARG . 35.7 t0 -169.28 -175.04 2.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.811 -1.18 . . . . 0.0 110.121 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.53 97.5 3.47 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.54 -0.725 . . . . 0.0 110.078 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.36 -1.88 57.49 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.3 p -75.14 2.32 11.09 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.87 -40.33 75.98 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.1 -39.45 86.72 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.39 -29.77 69.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.682 -0.637 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -58.71 -46.79 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -69.25 -39.53 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.521 -1.362 . . . . 0.0 110.611 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -69.56 -38.79 77.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.983 -1.073 . . . . 0.0 110.599 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.36 72.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.452 -0.78 . . . . 0.0 111.086 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 25.5 t80 -58.81 -39.08 80.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.558 -1.339 . . . . 0.0 109.114 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.54 -37.33 87.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.763 . . . . 0.0 110.114 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.62 -40.96 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.978 -1.076 . . . . 0.0 109.458 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -71.21 -40.68 70.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 33.2 t0 -80.57 83.84 6.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.018 -1.051 . . . . 0.0 110.197 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.3 -44.63 91.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.443 -0.785 . . . . 0.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p30 -68.91 -26.93 65.34 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.917 -1.114 . . . . 0.0 110.978 -178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.559 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 73.22 17.12 78.64 Favored Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.604 -1.284 . . . . 0.0 109.958 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.7 p-10 -70.8 -5.72 32.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.957 -1.319 . . . . 0.0 108.762 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.18 -1.6 80.18 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 58.9 m-85 -134.41 141.69 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -96.71 128.94 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.0 109.419 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 p -106.61 165.81 11.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.941 0.877 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.95 88.5 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.884 -0.51 . . . . 0.0 111.606 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.96 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.381 -1.449 . . . . 0.0 108.508 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -61.58 -39.9 92.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.295 -0.878 . . . . 0.0 110.227 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.0 -39.47 87.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.294 -0.879 . . . . 0.0 111.051 -178.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -63.9 -37.57 87.9 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.423 -1.423 . . . . 0.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -63.54 -60.78 2.89 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.261 -0.899 . . . . 0.0 112.743 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.05 -40.2 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.7 mtp -62.77 -39.01 92.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -65.29 -40.24 93.59 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.333 -0.854 . . . . 0.0 110.762 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.17 -22.99 67.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.161 -0.962 . . . . 0.0 110.958 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.28 7.52 40.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.936 -1.103 . . . . 0.0 109.913 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.37 81.92 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.52 127.2 50.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.476 -1.014 . . . . 0.0 108.885 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -135.59 119.58 17.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 109.569 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.06 -177.2 3.07 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -101.11 163.69 12.16 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.173 -0.954 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.42 -41.5 85.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.279 -0.888 . . . . 0.0 110.533 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.74 -39.8 92.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.989 -1.07 . . . . 0.0 109.273 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -64.34 -42.78 96.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.277 -0.889 . . . . 0.0 109.664 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.7 t -71.9 -33.17 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.2 -38.84 80.89 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.233 -0.917 . . . . 0.0 109.323 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 77.2 mm-40 -61.2 -38.93 88.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.108 -0.995 . . . . 0.0 109.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.7 mtt -61.17 -42.27 98.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.002 . . . . 0.0 110.381 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.78 -46.04 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.031 -1.043 . . . . 0.0 110.045 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 123' ' ' GLU . 87.2 mtm180 -63.57 -40.79 97.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.881 -1.137 . . . . 0.0 111.389 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.73 -38.91 87.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 110.803 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.87 -0.11 57.37 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.134 -0.979 . . . . 0.0 111.094 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.3 85.71 5.77 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.82 -1.175 . . . . 0.0 109.984 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.49 -42.34 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.0 110.88 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.3 p30 -79.28 -25.19 42.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 0.0 109.361 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.572 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.36 20.15 67.45 Favored Glycine 0 N--CA 1.481 1.697 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.6 p-10 -78.16 -10.24 59.54 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.394 -1.062 . . . . 0.0 110.035 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.9 -9.46 77.2 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -132.49 166.26 22.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.318 -1.107 . . . . 0.0 108.651 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.61 124.19 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.61 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.49 -175.62 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.944 0.878 . . . . 0.0 110.341 -177.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.8 m-85 -62.75 -39.73 95.05 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.85 -50.99 71.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 109.659 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 79.7 mt-10 -66.22 -41.35 90.23 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 121.21 -0.931 . . . . 0.0 109.327 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -64.01 -47.1 81.63 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.688 -0.633 . . . . 0.0 110.552 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.73 -43.3 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 120.148 -1.595 . . . . 0.0 108.623 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.0 -37.51 87.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.787 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.7 ttp . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.057 -1.027 . . . . 0.0 110.712 -178.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -106.18 156.96 17.93 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.62 0.724 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.77 -39.4 88.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.648 -0.658 . . . . 0.0 110.355 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -58.65 -43.81 89.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.965 -1.084 . . . . 0.0 110.081 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -61.98 -45.58 92.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.117 -0.99 . . . . 0.0 111.313 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.89 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.318 -1.489 . . . . 0.0 109.61 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.44 91.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.988 -1.07 . . . . 0.0 110.537 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.67 -44.7 96.45 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.956 -1.09 . . . . 0.0 110.681 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -88.12 -28.35 21.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.021 -1.05 . . . . 0.0 110.557 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -62.91 -43.53 98.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.871 -1.143 . . . . 0.0 109.296 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.04 -46.74 88.54 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.755 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.41 68.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 0.0 110.087 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -58.36 -46.85 85.49 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.148 -0.97 . . . . 0.0 111.48 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.67 -36.82 77.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 111.046 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -40.76 73.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.728 -1.233 . . . . 0.0 109.933 -178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -66.36 -40.33 89.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.765 -1.209 . . . . 0.0 109.276 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 48.9 t0 -84.23 82.06 8.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.562 -1.336 . . . . 0.0 109.878 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.72 -25.17 68.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.899 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.64 -27.35 69.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.041 -1.037 . . . . 0.0 110.128 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.01 79.94 Favored Glycine 0 N--CA 1.497 2.754 0 O-C-N 120.475 -1.391 . . . . 0.0 110.567 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -92.19 3.6 55.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.213 -1.169 . . . . 0.0 110.162 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 7.01 88.97 Favored Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.201 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 70.6 p -134.76 149.1 50.38 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.35 -1.088 . . . . 0.0 108.873 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.3 mt -105.96 131.66 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.0 p -108.07 158.67 17.2 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.263 0.554 . . . . 0.0 110.033 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.6 p -55.98 -34.55 65.84 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.269 -0.894 . . . . 0.0 110.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.87 -39.75 83.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.964 -1.085 . . . . 0.0 109.795 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.5 -42.54 92.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 0.0 110.553 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 -53.15 16.97 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.241 -0.912 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.94 98.35 Favored Glycine 0 N--CA 1.486 2.009 0 C-N-CA 119.261 -1.447 . . . . 0.0 109.742 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.5 m -60.5 -46.41 90.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.365 . . . . 0.0 109.273 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.59 -37.78 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.76 -1.213 . . . . 0.0 109.051 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 ttt -62.26 -35.6 79.46 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.03 -1.044 . . . . 0.0 109.135 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.98 -37.34 76.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.402 -0.811 . . . . 0.0 109.724 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.0 m -59.6 -30.1 68.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.207 -0.933 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -68.37 16.83 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.322 -0.861 . . . . 0.0 108.881 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.01 33.23 86.67 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -113.6 160.31 18.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.603 -0.939 . . . . 0.0 109.505 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -140.3 69.99 33.44 Favored Pre-proline 0 C--N 1.296 -1.74 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.69 160.03 44.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 122.42 2.08 . . . . 0.0 112.21 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.0 p -104.47 168.73 8.9 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.743 0.782 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.62 -42.96 93.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.083 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.077 -1.014 . . . . 0.0 110.04 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.64 -45.27 87.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.91 -1.119 . . . . 0.0 110.123 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.83 -38.0 82.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.356 -0.84 . . . . 0.0 109.475 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -60.4 -47.43 86.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.252 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.05 -41.99 98.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.89 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.7 mtt -59.99 -50.72 72.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.997 -1.064 . . . . 0.0 110.705 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -36.81 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.966 -1.084 . . . . 0.0 110.766 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.81 -35.79 71.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.443 -0.786 . . . . 0.0 110.611 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.92 -19.61 52.71 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 111.382 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.4 p -134.26 27.7 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 121.059 -1.025 . . . . 0.0 111.704 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -92.23 101.93 14.43 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.686 -1.259 . . . . 0.0 108.777 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.07 -18.04 21.34 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 64' ' ' ASP . 64.1 m-20 -89.89 -14.65 33.81 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.888 -1.132 . . . . 0.0 108.547 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.55 18.85 68.35 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 107.71 -2.156 . . . . 0.0 107.71 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.13 1.67 54.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.632 -0.922 . . . . 0.0 110.293 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.91 22.49 75.74 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 60.1 p -140.68 160.6 39.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.235 -1.156 . . . . 0.0 108.107 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.2 122.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.375 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 65.7 m-20 -93.29 157.32 16.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.972 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.426 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 31.0 t80 -46.86 -51.55 38.26 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.7 -35.35 94.98 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 120.958 1.378 . . . . 0.0 111.515 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.18 -43.91 93.63 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.65 -43.98 97.83 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.24 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.43 -39.64 88.16 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.929 0.871 . . . . 0.0 109.717 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.92 -42.98 99.72 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttp -60.96 -40.65 94.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.208 -0.932 . . . . 0.0 109.005 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -40.37 91.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.085 -1.009 . . . . 0.0 110.272 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.67 55.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.971 -1.081 . . . . 0.0 108.83 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -57.73 -25.06 59.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.464 -0.773 . . . . 0.0 110.446 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -56.55 -45.5 81.19 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.132 -0.98 . . . . 0.0 109.061 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -63.74 -40.78 97.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.224 -0.923 . . . . 0.0 110.107 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.84 -37.85 73.18 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.146 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.1 t0 58.08 60.23 2.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.237 -0.914 . . . . 0.0 109.431 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -76.21 0.49 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.103 -0.998 . . . . 0.0 110.059 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.85 -24.62 24.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.842 -1.161 . . . . 0.0 109.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.4 m -54.3 -22.96 13.34 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.601 -0.687 . . . . 0.0 109.211 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.37 -46.24 86.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.1 -38.19 87.95 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.216 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -72.05 -23.39 61.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.275 -0.891 . . . . 0.0 110.198 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.37 -39.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -63.49 -37.37 87.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.767 -1.208 . . . . 0.0 110.214 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.4 -36.85 83.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.951 -1.093 . . . . 0.0 109.665 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.46 63.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.231 -0.918 . . . . 0.0 109.867 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 33.4 t80 -55.83 -37.95 69.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.007 -1.058 . . . . 0.0 109.201 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -65.24 -37.03 85.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.356 -0.84 . . . . 0.0 109.966 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -40.85 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.953 -1.092 . . . . 0.0 109.445 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -72.3 -41.7 66.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.44 -0.787 . . . . 0.0 109.855 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 29.6 t0 -81.47 83.81 6.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 110.035 -178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -65.14 -42.92 93.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.502 -0.749 . . . . 0.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.8 p30 -68.7 -26.91 65.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.957 -1.09 . . . . 0.0 110.945 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.27 14.77 81.61 Favored Glycine 0 N--CA 1.489 2.178 0 C-N-CA 119.462 -1.351 . . . . 0.0 109.817 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.7 p-10 -69.92 -5.68 27.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.977 -1.308 . . . . 0.0 108.705 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.77 2.81 81.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 36.4 m-85 -136.94 145.77 44.64 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.43 127.48 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.804 -1.185 . . . . 0.0 108.754 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 p -105.72 166.37 10.51 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.975 0.893 . . . . 0.0 110.705 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.75 88.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.871 -0.518 . . . . 0.0 111.398 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.5 86.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.434 -1.416 . . . . 0.0 108.643 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.54 -41.22 97.03 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.32 -39.71 85.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.0 110.761 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -64.83 -37.21 86.84 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.437 -1.414 . . . . 0.0 110.167 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -65.07 -60.51 2.95 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.339 -0.851 . . . . 0.0 112.532 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.55 -40.51 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.055 -1.028 . . . . 0.0 109.29 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.1 mtp -62.23 -38.28 88.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.117 -0.99 . . . . 0.0 110.193 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.3 m -64.78 -40.25 94.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.223 -0.923 . . . . 0.0 110.742 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.25 -22.47 66.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.137 -0.977 . . . . 0.0 111.191 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.46 7.87 30.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.794 -1.191 . . . . 0.0 109.775 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.25 13.76 82.45 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -108.65 141.5 40.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.7 -0.883 . . . . 0.0 109.212 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.9 124.62 11.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.28 -176.86 3.0 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.7 p -100.88 163.67 12.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.157 -0.964 . . . . 0.0 109.214 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.56 -39.45 84.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.112 -0.992 . . . . 0.0 110.12 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.21 -40.21 95.33 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 109.358 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.47 -43.45 94.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.256 -0.902 . . . . 0.0 109.694 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.07 -37.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.76 -43.12 98.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.037 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.79 -37.9 88.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.07 -1.019 . . . . 0.0 110.054 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.0 mtt -61.09 -39.87 91.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.302 -0.874 . . . . 0.0 109.816 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.56 -44.18 99.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 108.831 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -61.09 -45.89 92.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.873 -1.142 . . . . 0.0 110.898 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.79 -39.15 87.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.21 -0.931 . . . . 0.0 111.812 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.31 -11.5 54.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.67 -1.268 . . . . 0.0 111.031 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -76.01 90.58 3.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.725 -1.234 . . . . 0.0 109.861 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.95 -46.07 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.8 p30 -76.28 -23.93 54.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.065 -1.022 . . . . 0.0 109.06 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.543 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.91 22.07 50.69 Favored Glycine 0 N--CA 1.481 1.662 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.191 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.465 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 42.7 p30 -80.08 -6.78 58.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -1.138 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 80.88 -1.34 84.47 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 56.9 mt-30 -138.66 159.68 41.51 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.195 -1.179 . . . . 0.0 108.293 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -98.65 123.69 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.955 -1.091 . . . . 0.0 108.563 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.26 -176.16 2.98 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.976 0.893 . . . . 0.0 110.599 -177.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.0 m-85 -60.98 -40.28 92.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -50.46 73.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -67.97 -42.08 81.42 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.33 -48.44 79.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.583 -0.698 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.17 -43.19 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.154 -1.591 . . . . 0.0 108.382 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -70.38 -36.77 74.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 112.173 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 ttt . . . . . 0 N--CA 1.496 1.869 0 O-C-N 120.843 -1.161 . . . . 0.0 110.521 -177.779 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -107.99 156.52 19.14 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.727 0.775 . . . . 0.0 110.769 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -64.91 -20.13 66.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.577 -0.702 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.8 -40.2 83.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.018 -1.051 . . . . 0.0 109.697 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -64.02 -40.71 96.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.341 -0.849 . . . . 0.0 110.748 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.7 -45.25 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.562 -1.336 . . . . 0.0 109.351 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.71 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.073 -1.017 . . . . 0.0 110.188 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -62.02 -44.02 97.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.922 -1.111 . . . . 0.0 110.677 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.12 -28.88 20.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.991 -1.068 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.9 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.993 -1.067 . . . . 0.0 109.274 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.92 -46.09 90.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.397 -0.814 . . . . 0.0 109.15 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -28.51 61.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 110.12 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 84.6 t80 -59.11 -46.43 88.33 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.132 -0.98 . . . . 0.0 111.558 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.41 -36.38 75.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.95 -1.094 . . . . 0.0 111.32 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.671 -1.268 . . . . 0.0 110.406 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.94 -39.52 83.45 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.7 -1.25 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.71 81.73 8.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.759 -1.213 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.24 -24.51 67.69 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.12 -0.988 . . . . 0.0 109.757 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -28.97 70.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 10.14 83.21 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.536 -1.352 . . . . 0.0 110.206 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -90.87 3.7 53.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.215 -1.168 . . . . 0.0 109.799 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.62 8.69 87.54 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.7 p -135.33 149.71 49.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.179 -1.189 . . . . 0.0 108.845 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.76 128.96 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -104.88 157.9 16.89 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.213 0.53 . . . . 0.0 109.628 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -55.47 -34.69 64.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.282 -0.886 . . . . 0.0 109.896 -178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.6 -41.39 88.51 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.093 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -41.61 93.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.375 -0.828 . . . . 0.0 111.446 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -54.91 10.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.059 -1.025 . . . . 0.0 109.909 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.76 99.11 Favored Glycine 0 N--CA 1.485 1.94 0 C-N-CA 119.434 -1.365 . . . . 0.0 110.283 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -59.38 -46.21 89.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.657 -1.496 . . . . 0.0 109.611 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.02 -37.99 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.684 -1.26 . . . . 0.0 109.489 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.436 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 48.8 ttp -67.61 -37.35 82.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.922 -1.112 . . . . 0.0 109.759 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.35 -35.05 73.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.056 -1.027 . . . . 0.0 109.694 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.569 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.6 m -55.81 -33.81 64.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.105 -0.997 . . . . 0.0 109.126 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.51 25.7 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.949 . . . . 0.0 108.69 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.99 41.71 98.51 Favored Glycine 0 N--CA 1.484 1.85 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 36' ' ' MET . 51.0 mt-30 -117.1 155.28 29.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.587 -0.949 . . . . 0.0 109.15 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.13 75.38 20.35 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.527 -0.733 . . . . 0.0 109.315 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.8 162.53 26.78 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.845 2.363 . . . . 0.0 112.729 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -104.63 162.41 13.3 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.69 0.757 . . . . 0.0 109.775 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.66 -43.51 97.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.704 -0.623 . . . . 0.0 110.608 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.4 94.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.924 -1.11 . . . . 0.0 109.997 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.63 -46.25 86.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.809 -1.182 . . . . 0.0 109.918 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.54 -38.87 81.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.336 -0.853 . . . . 0.0 110.598 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.711 HE22 ' ND2' ' A' ' 53' ' ' ASN . 8.7 tm0? -61.69 -42.51 99.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.955 -1.09 . . . . 0.0 108.5 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.44 -45.23 91.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.458 -0.776 . . . . 0.0 110.442 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.2 mtt -60.29 -52.11 66.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.918 -1.114 . . . . 0.0 110.697 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -35.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 109.907 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.711 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.6 m-20 -59.1 -27.07 65.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.071 -1.018 . . . . 0.0 110.442 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.81 -21.17 66.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.822 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.8 p -135.0 29.0 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 121.206 -0.934 . . . . 0.0 111.871 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.8 t0 -91.41 104.3 16.83 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.61 -1.306 . . . . 0.0 108.95 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.23 -23.47 18.52 Favored 'General case' 0 N--CA 1.504 2.236 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.324 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 20.3 p30 -93.44 -7.74 43.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 109.147 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.88 26.08 68.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.0 p30 -96.25 1.33 52.0 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.404 -1.056 . . . . 0.0 110.215 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.2 22.51 74.48 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.479 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -140.42 160.98 38.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.289 -1.124 . . . . 0.0 107.968 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -106.1 122.52 59.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.778 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -93.19 156.73 16.66 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.857 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 30.4 t80 -46.95 -52.18 34.89 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 111.617 -178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -59.15 -35.66 97.32 Favored 'Trans proline' 0 N--CA 1.49 1.267 0 CA-C-N 120.921 1.365 . . . . 0.0 111.541 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.21 -44.23 92.56 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 31.2 t80 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.689 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -59.06 -39.77 83.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.988 0.899 . . . . 0.0 109.477 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -63.57 -42.88 98.28 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.06 -41.29 97.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.96 -42.39 94.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.505 -0.747 . . . . 0.0 110.487 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.13 51.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 108.313 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -64.05 -29.29 70.44 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -60.15 -43.27 95.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 110.393 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.9 ptp -68.99 -13.62 62.56 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.638 -1.289 . . . . 0.0 110.161 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 57.4 tptt -68.54 -38.06 80.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.895 -1.128 . . . . 0.0 110.004 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 12.6 t0 81.81 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.55 -81.51 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.614 -0.679 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 97.1 m-20 -88.78 -25.58 22.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.082 -1.011 . . . . 0.0 108.274 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.3 t -46.98 -26.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.01 -41.99 99.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.196 -0.94 . . . . 0.0 108.557 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ASP . 98.3 mt-10 -66.0 -40.32 91.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.03 -38.39 75.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.095 -1.003 . . . . 0.0 109.74 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.66 -39.86 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.526 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.891 -1.131 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.23 -37.49 83.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 0.0 109.581 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -31.93 59.6 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.7 t80 -57.23 -38.37 73.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.76 -39.67 94.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.18 -37.83 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.944 -1.097 . . . . 0.0 109.859 -178.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -67.52 -41.92 83.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.331 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -83.73 84.64 7.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.893 -1.13 . . . . 0.0 109.974 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.52 -38.5 89.84 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.572 -0.705 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.03 -28.92 68.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.216 -0.927 . . . . 0.0 110.65 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.9 12.3 84.72 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 34.9 p-10 -71.58 -4.79 28.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.102 -1.234 . . . . 0.0 109.047 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.42 4.02 86.29 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 32.9 m-85 -137.16 146.33 44.83 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.44 127.62 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.071 -1.018 . . . . 0.0 108.903 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.0 p -105.33 165.12 11.34 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.988 0.899 . . . . 0.0 110.537 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.32 90.78 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.892 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.45 87.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.381 -1.449 . . . . 0.0 108.78 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 88.6 mt-10 -61.46 -39.95 92.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.875 . . . . 0.0 110.136 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.87 -39.01 87.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 111.339 -178.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.311 -1.493 . . . . 0.0 110.244 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -65.64 -60.18 3.18 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.281 -0.887 . . . . 0.0 112.624 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.6 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.012 -1.055 . . . . 0.0 109.452 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.2 mtp -62.42 -37.89 87.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.04 -1.037 . . . . 0.0 110.142 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.0 m -65.36 -40.05 93.08 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.193 -0.942 . . . . 0.0 110.893 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.75 -22.34 66.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.097 -1.002 . . . . 0.0 111.565 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 mt -88.29 9.64 22.47 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.741 -1.224 . . . . 0.0 109.988 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.36 11.66 84.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -104.71 139.69 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.589 -0.948 . . . . 0.0 109.153 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -143.9 119.89 10.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.386 -0.821 . . . . 0.0 109.577 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.32 -177.45 3.13 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -101.12 163.33 12.33 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.28 -0.887 . . . . 0.0 108.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.61 -38.91 82.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.003 -1.061 . . . . 0.0 110.03 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.32 -39.9 94.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.052 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.2 -43.67 94.35 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.14 -36.55 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.96 -48.14 82.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.118 -0.989 . . . . 0.0 109.151 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.87 -37.52 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.179 -0.951 . . . . 0.0 109.79 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.95 -40.66 67.02 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.21 -40.68 83.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.491 -0.755 . . . . 0.0 109.11 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.18 -42.4 98.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.241 -0.912 . . . . 0.0 110.925 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -69.66 -38.87 77.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.73 -1.231 . . . . 0.0 111.269 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.69 -4.27 59.15 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.941 -1.1 . . . . 0.0 110.991 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -79.75 89.25 5.19 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.665 -1.272 . . . . 0.0 110.331 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.406 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -94.14 -45.81 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 111.414 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.8 p-10 -75.31 -26.1 58.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 108.889 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.76 20.65 63.14 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 55.6 p-10 -77.78 -7.5 56.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.383 -1.069 . . . . 0.0 109.943 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.26 -11.01 68.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.3 mp0 -131.59 166.78 20.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.327 -1.102 . . . . 0.0 108.467 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.32 125.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.606 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 -178.72 3.67 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.806 0.812 . . . . 0.0 110.595 -178.265 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.588 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.9 m-85 -59.34 -39.51 83.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -50.16 74.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.356 -0.84 . . . . 0.0 109.676 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 48.0 mt-10 -68.02 -41.8 81.62 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -62.45 -48.67 78.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.626 -0.671 . . . . 0.0 111.427 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.68 -42.64 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.895 -1.753 . . . . 0.0 107.108 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -65.21 -36.79 85.26 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.883 . . . . 0.0 111.946 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.0 ttp . . . . . 0 N--CA 1.497 1.89 0 O-C-N 120.826 -1.171 . . . . 0.0 111.487 -177.341 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.496 1.86 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 p -108.44 161.34 15.12 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.87 -38.01 84.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.354 -0.841 . . . . 0.0 109.617 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.01 -39.14 93.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.011 . . . . 0.0 110.971 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -62.86 -42.49 99.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.692 -1.255 . . . . 0.0 110.493 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.59 -39.88 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.518 -1.364 . . . . 0.0 108.924 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.46 77.92 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.938 -1.101 . . . . 0.0 109.863 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.44 -44.13 97.65 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.843 -1.161 . . . . 0.0 110.657 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -87.42 -21.17 25.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.888 -1.132 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.25 -42.55 96.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.754 -1.216 . . . . 0.0 109.236 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.81 -43.44 98.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.024 -1.047 . . . . 0.0 109.351 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.29 83.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.22 -0.925 . . . . 0.0 109.092 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -58.13 -45.61 87.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 111.407 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.1 p -62.22 -20.56 64.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.886 -1.134 . . . . 0.0 111.546 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -40.99 97.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.531 -1.356 . . . . 0.0 109.871 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -69.13 -37.82 78.52 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.07 -1.019 . . . . 0.0 109.54 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 26' ' ' THR . 38.8 t70 -83.86 84.87 7.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.619 -1.301 . . . . 0.0 110.054 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.74 -39.54 94.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.266 -0.897 . . . . 0.0 111.179 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 57.6 p30 -65.43 -23.04 66.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.737 -1.227 . . . . 0.0 110.198 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.34 21.13 79.5 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -80.46 -0.91 39.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.036 -1.273 . . . . 0.0 109.378 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 4.2 90.5 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 77.6 p -136.07 147.49 47.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.359 -1.083 . . . . 0.0 108.468 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -98.87 130.22 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.276 -0.89 . . . . 0.0 109.004 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.1 p -105.95 157.92 17.15 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.267 0.556 . . . . 0.0 110.393 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 p -56.97 -36.16 69.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.23 -0.919 . . . . 0.0 110.308 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.86 -41.88 95.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.789 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 96.5 mt-10 -65.55 -41.08 93.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.553 -0.717 . . . . 0.0 111.089 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -54.91 12.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.612 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.69 -40.8 98.53 Favored Glycine 0 N--CA 1.484 1.875 0 C-N-CA 119.305 -1.426 . . . . 0.0 110.184 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -59.07 -46.09 89.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.559 -1.554 . . . . 0.0 108.896 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.78 -37.09 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.741 -1.224 . . . . 0.0 109.21 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.5 ttp -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.652 -1.28 . . . . 0.0 109.369 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -60.44 -34.39 73.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.189 -0.945 . . . . 0.0 109.058 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 41.3 t -50.06 -35.21 24.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.258 -0.901 . . . . 0.0 108.794 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.82 23.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.246 -0.909 . . . . 0.0 108.757 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.22 42.6 98.74 Favored Glycine 0 N--CA 1.486 2.016 0 O-C-N 121.205 -0.934 . . . . 0.0 111.262 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -112.92 164.57 13.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.457 -1.026 . . . . 0.0 110.114 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -138.04 73.58 45.06 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.12 162.05 37.43 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.789 2.326 . . . . 0.0 113.26 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.46 163.1 13.73 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.851 0.834 . . . . 0.0 109.761 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.98 -41.73 92.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.356 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.964 -1.085 . . . . 0.0 110.698 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE2' ' SD ' ' A' ' 51' ' ' MET . 15.1 tm-20 -66.76 -46.12 76.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.547 -1.346 . . . . 0.0 110.308 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.04 -39.76 90.42 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.109 -0.995 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.63 -45.87 90.84 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.929 -1.107 . . . . 0.0 108.687 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.72 -40.48 95.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.693 -0.629 . . . . 0.0 110.663 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.482 ' SD ' ' OE2' ' A' ' 47' ' ' GLU . 14.2 mtt -58.28 -55.5 34.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.059 -1.026 . . . . 0.0 110.314 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.88 -37.3 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 109.924 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -54.08 -27.95 35.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.3 -0.875 . . . . 0.0 110.467 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.51 -20.69 66.09 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 111.548 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -134.94 29.92 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 121.0 -1.063 . . . . 0.0 111.807 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -88.56 98.67 11.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.553 -1.342 . . . . 0.0 109.244 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.12 -28.93 14.83 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.322 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -83.62 -13.99 53.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.908 -1.12 . . . . 0.0 108.827 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.2 23.04 71.33 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -94.4 1.37 55.83 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.435 -1.038 . . . . 0.0 110.215 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.48 16.52 75.73 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 121.084 -1.01 . . . . 0.0 110.674 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.3 p -140.41 161.78 36.89 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.197 -1.178 . . . . 0.0 107.943 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -101.11 121.72 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.406 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.7 m-20 -93.15 154.2 18.2 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.414 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.8 t80 -43.46 -52.48 13.36 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.486 -0.759 . . . . 0.0 111.962 -178.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.8 Cg_endo -59.45 -34.77 97.23 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 CA-C-N 120.991 1.39 . . . . 0.0 111.553 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.56 -44.2 94.82 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.55 -46.36 90.27 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.171 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.94 -38.57 82.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.872 . . . . 0.0 110.012 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -62.61 -43.49 98.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.703 -0.623 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.3 ttp -62.35 -40.74 97.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.433 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.29 -40.84 91.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 0.0 110.821 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.26 -24.28 51.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.908 -1.12 . . . . 0.0 109.14 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ASP . 14.6 tpp85 -59.16 -39.66 83.17 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.571 -0.705 . . . . 0.0 110.303 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ASP . 57.1 mtmt -62.78 -45.25 93.56 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.603 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 mmm -69.73 -40.3 76.29 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.558 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.12 -39.21 25.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.983 -1.073 . . . . 0.0 109.803 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 79' ' ' THR . 39.2 t0 -138.99 -173.94 3.71 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.987 0.899 . . . . 0.0 109.599 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.9 OUTLIER -131.1 55.36 1.85 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.729 0.776 . . . . 0.0 109.718 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.47 -11.06 60.68 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -76.86 7.48 4.73 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 -40.6 78.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.377 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 -43.73 92.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.254 -0.904 . . . . 0.0 109.105 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 59.0 mp0 -70.52 -29.46 65.96 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.285 -0.884 . . . . 0.0 109.674 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mt -60.7 -44.83 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.01 -36.86 84.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.936 -1.102 . . . . 0.0 109.985 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.64 -39.39 91.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.78 -31.24 58.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.112 -0.993 . . . . 0.0 109.463 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.2 t80 -57.51 -41.04 80.02 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.213 -0.93 . . . . 0.0 109.17 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -63.53 -39.87 95.56 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.51 -0.744 . . . . 0.0 110.642 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.93 -40.01 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.123 -0.986 . . . . 0.0 109.777 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -69.55 -40.59 76.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.194 -0.941 . . . . 0.0 109.694 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.9 t0 -81.82 84.35 6.9 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.954 -1.091 . . . . 0.0 110.345 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.61 -41.56 92.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.5 -0.75 . . . . 0.0 111.52 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.0 p30 -68.24 -26.44 65.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.887 -1.133 . . . . 0.0 111.148 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.49 14.87 81.61 Favored Glycine 0 N--CA 1.488 2.139 0 C-N-CA 119.471 -1.347 . . . . 0.0 109.786 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.493 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.3 p-10 -71.2 -4.25 24.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.011 -1.288 . . . . 0.0 108.79 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.98 1.81 86.57 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.8 m-85 -135.74 148.08 48.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.6 128.99 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.82 -1.175 . . . . 0.0 109.175 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.0 p -106.85 165.23 11.48 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 122.015 0.912 . . . . 0.0 110.691 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.52 91.57 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.236 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.08 85.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.281 -1.512 . . . . 0.0 108.539 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.46 -40.98 96.47 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.24 -0.912 . . . . 0.0 109.822 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.458 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.75 -40.8 92.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.503 -0.748 . . . . 0.0 110.573 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.9 ttp180 -61.83 -38.63 88.88 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 120.691 -1.256 . . . . 0.0 110.255 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.66 -61.45 2.19 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.299 -0.876 . . . . 0.0 112.578 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.99 -40.51 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.11 -0.994 . . . . 0.0 110.041 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 113' ' ' GLY . 98.9 mtp -62.73 -39.41 93.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.843 -1.161 . . . . 0.0 110.402 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 86.0 m -63.84 -48.58 76.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.749 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.71 -37.88 73.57 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.109 -0.994 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.23 -3.58 31.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.462 -0.774 . . . . 0.0 110.943 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -145.64 -96.08 0.19 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.8 152.41 2.0 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.553 -1.557 . . . . 0.0 108.467 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.08 133.05 49.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.815 -1.178 . . . . 0.0 109.792 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.09 -170.9 1.72 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.3 p -101.28 160.24 14.58 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.075 -1.016 . . . . 0.0 108.969 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.1 -39.68 83.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.0 110.007 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.82 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.974 -1.079 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.13 -44.15 97.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.1 -29.65 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.08 -43.04 95.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.085 -1.009 . . . . 0.0 109.38 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.48 -38.5 90.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.163 -0.961 . . . . 0.0 109.911 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtt -56.15 -41.89 76.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 109.156 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.93 -43.67 89.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 109.671 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -60.06 -46.42 89.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.954 -1.091 . . . . 0.0 110.997 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.61 -38.78 90.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.973 -1.079 . . . . 0.0 111.232 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.23 -0.97 57.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 111.236 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -80.53 84.05 6.2 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.264 . . . . 0.0 110.431 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.69 -45.34 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.937 . . . . 0.0 111.164 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.0 p-10 -76.25 -25.96 55.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.127 -0.983 . . . . 0.0 109.195 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.98 21.27 63.48 Favored Glycine 0 N--CA 1.483 1.775 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.4 p-10 -79.34 -7.7 58.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.356 -1.085 . . . . 0.0 110.295 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.11 -9.84 73.21 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.2 mp0 -131.72 164.17 26.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.351 -1.088 . . . . 0.0 108.548 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.9 t -100.6 124.18 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.43 -177.48 3.33 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.937 0.875 . . . . 0.0 110.909 -177.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.8 m-85 -60.07 -39.99 87.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.67 -50.25 74.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.784 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -68.71 -41.63 78.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.278 -0.889 . . . . 0.0 109.545 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.6 -47.5 83.5 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.75 -0.594 . . . . 0.0 110.8 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.76 -43.68 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 O-C-N 120.043 -1.661 . . . . 0.0 108.451 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -64.86 -38.32 90.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.442 -0.786 . . . . 0.0 110.672 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.424 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 5.3 ttp . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.138 -0.976 . . . . 0.0 110.491 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.9 p-10 -90.64 6.91 41.93 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.183 -0.948 . . . . 0.0 109.599 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -64.87 130.62 44.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.268 -0.895 . . . . 0.0 109.201 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.2 tp -73.74 143.49 46.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -108.8 156.88 19.13 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 121.657 0.742 . . . . 0.0 110.407 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -65.63 -39.45 91.48 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.688 -0.633 . . . . 0.0 110.406 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.69 -39.08 93.43 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.069 -1.019 . . . . 0.0 111.107 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.71 -39.39 91.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.844 -1.16 . . . . 0.0 110.043 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.45 -39.34 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 120.635 -1.291 . . . . 0.0 109.231 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -34.68 76.75 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.896 -1.128 . . . . 0.0 109.847 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.31 -42.37 98.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.894 -1.129 . . . . 0.0 110.477 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -86.58 -19.26 29.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.868 -1.145 . . . . 0.0 109.546 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.96 -42.84 97.17 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.802 -1.186 . . . . 0.0 109.199 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.27 -45.97 91.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.974 -1.079 . . . . 0.0 109.007 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.85 81.95 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.265 -0.897 . . . . 0.0 109.383 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -57.12 -45.67 83.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.351 -0.843 . . . . 0.0 111.241 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.8 p -62.11 -22.19 65.61 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.896 -1.128 . . . . 0.0 111.687 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -42.58 86.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.441 -1.412 . . . . 0.0 110.168 -178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -69.42 -37.56 77.51 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.001 -1.062 . . . . 0.0 109.45 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.7 t0 -83.52 82.78 8.15 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.605 -1.309 . . . . 0.0 109.749 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.92 -23.97 67.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.142 -0.974 . . . . 0.0 110.015 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.33 -30.23 71.4 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.17 -0.956 . . . . 0.0 110.457 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 5.58 87.31 Favored Glycine 0 N--CA 1.496 2.692 0 O-C-N 120.311 -1.493 . . . . 0.0 110.179 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.9 p30 -88.66 2.67 52.81 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.342 -1.093 . . . . 0.0 110.027 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 10.35 85.93 Favored Glycine 0 N--CA 1.489 2.22 0 C-N-CA 119.781 -1.199 . . . . 0.0 110.272 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.2 149.2 48.47 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.19 -1.183 . . . . 0.0 108.955 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -104.6 130.43 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -106.87 158.03 17.31 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -56.17 -35.49 67.27 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.109 -0.994 . . . . 0.0 110.064 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.71 -42.1 95.52 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.299 -0.875 . . . . 0.0 109.725 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.96 -42.9 89.33 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.363 -0.836 . . . . 0.0 111.404 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' O ' ' B' ' 200' ' ' ACE . 0.5 OUTLIER -71.22 -51.88 22.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.025 . . . . 0.0 109.9 -179.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -39.55 96.34 Favored Glycine 0 N--CA 1.488 2.146 0 C-N-CA 119.46 -1.352 . . . . 0.0 109.859 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.8 m -60.4 -46.53 89.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.994 -1.298 . . . . 0.0 109.396 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.08 -36.11 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.72 -1.237 . . . . 0.0 108.554 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.3 ttt -61.04 -32.58 72.19 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 120.927 -1.108 . . . . 0.0 108.87 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -58.74 -35.81 73.33 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.571 -0.706 . . . . 0.0 109.468 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.607 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.9 m -58.3 -34.19 70.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.353 -0.842 . . . . 0.0 109.163 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.56 16.84 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.259 -0.901 . . . . 0.0 108.874 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.607 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.08 39.8 98.45 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 110.216 -1.154 . . . . 0.0 110.216 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -118.5 161.46 19.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.616 -0.932 . . . . 0.0 110.118 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -141.42 68.75 26.34 Favored Pre-proline 0 C--N 1.297 -1.693 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.4 164.76 32.04 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.859 2.373 . . . . 0.0 112.802 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -107.46 163.52 12.98 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.874 0.845 . . . . 0.0 109.951 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.2 -41.86 97.58 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.497 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.55 94.98 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.982 -1.073 . . . . 0.0 110.201 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -44.24 94.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.985 -1.072 . . . . 0.0 110.254 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.36 -32.42 71.47 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.323 -0.861 . . . . 0.0 110.043 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -58.75 -48.51 80.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.019 -1.051 . . . . 0.0 110.07 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -60.2 -43.42 95.96 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.165 -0.96 . . . . 0.0 110.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.452 ' SD ' ' CE ' ' B' ' 201' ' ' MET . 22.3 mtt -64.34 -52.07 60.21 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.963 -1.086 . . . . 0.0 110.69 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -38.3 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.908 -1.12 . . . . 0.0 110.362 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -58.9 -37.86 77.57 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.46 -0.775 . . . . 0.0 111.225 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -60.49 -37.69 81.91 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.04 -1.038 . . . . 0.0 111.861 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -101.17 7.59 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.988 -1.07 . . . . 0.0 111.048 -179.053 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -81.71 107.58 14.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.928 -1.108 . . . . 0.0 109.372 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.93 -25.54 16.5 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.286 -0.884 . . . . 0.0 110.996 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 35.1 p30 -90.87 -5.84 55.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.734 -1.229 . . . . 0.0 109.563 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.62 26.93 67.33 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.516 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.9 p-10 -94.0 0.2 55.88 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.213 -1.169 . . . . 0.0 109.834 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.28 17.64 77.63 Favored Glycine 0 N--CA 1.495 2.571 0 C-N-CA 120.264 -0.969 . . . . 0.0 110.766 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -141.23 160.75 39.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.113 -1.228 . . . . 0.0 107.976 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.1 mt -101.58 121.07 52.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.443 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 60.7 m-20 -91.83 155.85 17.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.251 -0.98 . . . . 0.0 109.333 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -44.99 -51.58 22.52 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.554 -0.717 . . . . 0.0 112.142 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -61.85 -32.93 85.65 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.204 1.466 . . . . 0.0 111.628 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.26 -43.11 95.86 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -61.05 -43.3 99.1 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.34 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.54 -39.45 84.02 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 121.771 0.796 . . . . 0.0 109.567 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.5 m -62.25 -42.8 99.65 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.2 ttp -62.82 -39.59 94.77 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.145 -0.972 . . . . 0.0 109.69 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm -60.17 -43.35 95.89 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.777 -1.202 . . . . 0.0 110.232 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.97 -23.96 44.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.872 -1.143 . . . . 0.0 108.715 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -54.46 -20.83 8.36 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.568 -0.707 . . . . 0.0 109.636 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -57.55 -42.27 82.64 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.573 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -61.04 -39.74 90.95 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.17 -16.9 60.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.124 -0.985 . . . . 0.0 109.538 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 53.33 45.65 28.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.41 -57.73 3.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.932 -1.105 . . . . 0.0 109.51 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -85.72 -13.39 48.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.127 -0.983 . . . . 0.0 108.818 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.6 m -49.15 -37.58 22.66 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -41.43 94.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.029 -1.044 . . . . 0.0 109.015 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.33 -42.4 92.97 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.328 -0.858 . . . . 0.0 110.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.764 ' OE1' HG22 ' B' ' 203' ' ' VAL . 51.3 tp10 -67.81 -40.27 83.89 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.169 -0.957 . . . . 0.0 109.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.28 -46.29 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 119.507 -0.877 . . . . 0.0 108.682 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -69.55 -39.31 77.51 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.553 -1.342 . . . . 0.0 110.359 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -68.46 -39.17 81.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.861 -1.149 . . . . 0.0 110.672 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.76 70.4 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.334 -0.854 . . . . 0.0 110.697 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.4 t80 -58.97 -38.05 78.2 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.869 -1.144 . . . . 0.0 108.761 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -63.47 -37.54 87.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.658 -0.651 . . . . 0.0 109.86 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.22 -41.75 21.1 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 120.997 -1.065 . . . . 0.0 109.352 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -40.0 82.39 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.09 -1.006 . . . . 0.0 108.856 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -82.45 83.0 7.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.078 -1.013 . . . . 0.0 110.005 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.557 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 63.8 tttm -66.3 -39.85 89.6 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.556 -0.715 . . . . 0.0 111.321 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -67.66 -29.12 68.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.971 -1.081 . . . . 0.0 110.824 -177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.31 11.55 84.12 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 26.9 p-10 -70.6 -8.81 54.43 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.042 -1.269 . . . . 0.0 109.27 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.22 -4.73 82.93 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 68.4 m-85 -133.11 139.96 47.39 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.7 mt -95.51 120.65 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.745 -1.222 . . . . 0.0 109.728 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.0 p -91.37 165.88 13.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.217 -0.927 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.53 97.44 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.689 -0.632 . . . . 0.0 112.057 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.49 -37.7 88.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.517 -1.364 . . . . 0.0 109.678 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.557 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -62.7 -41.51 99.16 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.582 -0.699 . . . . 0.0 111.968 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.558 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.8 tt -64.14 -36.38 83.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.975 -1.078 . . . . 0.0 111.701 -177.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -66.72 -34.27 77.47 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.724 -1.235 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' CE1' HD21 ' A' ' 111' ' ' ASN . 23.1 t60 -58.27 -57.45 12.81 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.204 -0.935 . . . . 0.0 113.029 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.16 -39.37 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.978 -1.076 . . . . 0.0 108.742 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.558 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.9 mtp -62.75 -38.61 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.925 -1.11 . . . . 0.0 110.331 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -66.73 -40.58 88.41 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.253 -0.905 . . . . 0.0 110.937 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.516 HD21 ' CE1' ' A' ' 107' ' ' HIS . 95.4 m-20 -62.51 -21.42 65.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.2 mt -98.32 12.45 34.77 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.266 -0.896 . . . . 0.0 109.641 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.76 20.86 79.91 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -110.53 143.49 40.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.585 -0.95 . . . . 0.0 109.589 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -160.56 134.09 6.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.346 -0.846 . . . . 0.0 109.829 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -117.99 -170.65 1.91 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 p -98.25 160.59 14.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.047 -1.033 . . . . 0.0 109.114 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -59.42 -40.48 86.84 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 0.0 110.112 -178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.46 -41.6 94.47 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.051 -1.031 . . . . 0.0 108.922 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -63.28 -44.24 95.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.316 -0.865 . . . . 0.0 109.863 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.6 t -72.02 -37.57 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -62.49 -47.18 85.09 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.105 -0.997 . . . . 0.0 109.978 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.049 -1.032 . . . . 0.0 110.301 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.0 ttt -59.59 -43.1 93.77 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 109.445 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.13 -40.57 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.221 -0.924 . . . . 0.0 108.646 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -60.31 -46.23 90.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.145 -0.972 . . . . 0.0 110.378 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -66.26 -42.33 88.66 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 120.924 -1.11 . . . . 0.0 111.475 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.83 -16.38 59.45 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.963 -1.085 . . . . 0.0 110.538 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -70.42 93.49 0.88 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.959 -1.088 . . . . 0.0 109.595 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.19 -46.42 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.632 -0.667 . . . . 0.0 111.475 -178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.3 p-10 -75.05 -25.8 58.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.149 -0.969 . . . . 0.0 108.69 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.81 19.87 62.54 Favored Glycine 0 N--CA 1.479 1.547 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 57.0 p-10 -77.09 -9.3 58.64 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.331 -1.099 . . . . 0.0 109.84 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.47 -11.2 68.84 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.1 mp0 -131.26 160.67 34.22 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.346 -1.09 . . . . 0.0 108.381 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.9 t -97.29 124.9 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.209 -0.932 . . . . 0.0 109.179 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.597 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 178.45 4.48 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.939 0.876 . . . . 0.0 110.307 -178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.5 m-85 -59.66 -38.58 81.83 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -60.38 -50.25 74.33 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.51 -41.06 85.05 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 121.136 -0.978 . . . . 0.0 109.265 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.727 -0.608 . . . . 0.0 110.604 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.52 -43.09 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 120.038 -1.664 . . . . 0.0 108.29 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -64.45 -37.99 89.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.474 -0.766 . . . . 0.0 110.549 -178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.3 ttp -61.22 -37.75 84.15 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.03 -1.044 . . . . 0.0 109.963 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.7 mmm -82.21 -22.08 36.11 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.3 -0.875 . . . . 0.0 112.388 -177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.26 55.19 3.39 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.246 -1.534 . . . . 0.0 109.606 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.29 145.4 32.81 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.293 -0.879 . . . . 0.0 109.799 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.286 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.413 ' O ' HD22 ' A' ' 32' ' ' LEU . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.526 ' H ' ' HB3' ' B' ' 204' ' ' PHE . 20.0 mtp -143.78 152.92 41.84 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.792 . . . . 0.0 109.063 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 21.8 p-10 -52.06 -47.92 64.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.781 -1.2 . . . . 0.0 108.595 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.764 HG22 ' OE1' ' A' ' 84' ' ' GLU . 10.5 p -73.92 -38.51 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.207 -0.933 . . . . 0.0 109.629 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.526 ' HB3' ' H ' ' B' ' 201' ' ' MET . 32.6 t80 -55.09 -46.07 75.48 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.646 -1.284 . . . . 0.0 109.385 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.2 mtp -60.88 -35.78 77.51 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.49 -37.22 77.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.342 -0.849 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.33 -37.29 91.72 Favored Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.371 -0.831 . . . . 0.0 111.146 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 6.2 mt -47.87 -45.28 30.13 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.694 -1.474 . . . . 0.0 109.935 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 90.2 p -64.34 -38.91 92.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.107 -0.996 . . . . 0.0 110.479 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -64.18 -40.08 95.36 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.903 -1.123 . . . . 0.0 110.126 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -79.89 -9.1 59.64 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 109.536 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.546 ' O ' HG23 ' B' ' 216' ' ' VAL . 64.5 tttm -92.13 -80.33 0.36 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.121 -0.987 . . . . 0.0 109.377 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.43 -41.46 89.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.192 -0.942 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.3 -43.05 99.86 Favored Glycine 0 N--CA 1.499 2.853 0 C-N-CA 119.657 -1.259 . . . . 0.0 110.66 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -23.01 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.663 -1.492 . . . . 0.0 110.45 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 212' ' ' LYS . 52.0 t -62.95 -38.11 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.007 -1.058 . . . . 0.0 110.33 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.36 3.27 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.155 -0.966 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' B' ' 219' ' ' ALA . . . -60.15 -39.96 88.18 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.8 -1.188 . . . . 0.0 109.242 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' B' ' 218' ' ' ALA . . . 177.89 -38.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.267 -0.896 . . . . 0.0 109.518 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -87.86 -3.6 58.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.316 -0.865 . . . . 0.0 109.203 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -62.75 -40.07 96.11 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.277 -0.89 . . . . 0.0 109.54 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.9 tp -116.62 143.46 45.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -108.09 156.62 19.07 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-O 121.605 0.717 . . . . 0.0 110.621 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -65.87 -40.38 91.57 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.614 -0.679 . . . . 0.0 110.2 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -63.0 -38.54 91.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.156 -0.965 . . . . 0.0 110.185 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -60.47 -40.36 90.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 0.0 109.683 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.27 -39.09 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.863 -1.148 . . . . 0.0 109.744 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.43 -33.5 74.92 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.824 -1.172 . . . . 0.0 109.821 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.09 -42.18 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.794 -1.191 . . . . 0.0 110.248 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -86.82 -17.94 32.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.954 -1.091 . . . . 0.0 109.642 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.19 -43.36 95.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.483 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.81 -43.06 98.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.004 -1.06 . . . . 0.0 109.223 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.05 79.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.288 -0.883 . . . . 0.0 109.299 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.89 -44.83 82.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.334 -0.854 . . . . 0.0 111.318 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -61.09 -37.42 82.65 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.025 -1.047 . . . . 0.0 111.66 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -42.02 77.0 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.685 -1.259 . . . . 0.0 110.748 -177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -69.96 -36.96 75.64 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.83 -1.169 . . . . 0.0 109.561 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD2' ' N ' ' A' ' 26' ' ' THR . 60.8 t0 -83.69 82.94 8.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.694 -1.254 . . . . 0.0 109.278 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.28 -24.48 67.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.172 -0.955 . . . . 0.0 110.109 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.43 -30.41 71.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.161 -0.962 . . . . 0.0 110.264 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.48 5.53 89.23 Favored Glycine 0 N--CA 1.496 2.663 0 O-C-N 120.282 -1.511 . . . . 0.0 109.942 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -88.92 4.29 48.47 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.372 -1.075 . . . . 0.0 110.01 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.38 84.63 Favored Glycine 0 N--CA 1.489 2.172 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.361 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.7 p -136.89 150.13 48.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.222 -1.163 . . . . 0.0 109.244 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -103.89 131.77 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.6 p -111.29 159.92 17.5 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.244 0.545 . . . . 0.0 109.727 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.15 -33.23 62.76 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.345 -0.847 . . . . 0.0 110.502 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.52 -39.17 74.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 110.124 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -67.07 -42.11 85.24 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.027 -1.045 . . . . 0.0 111.056 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -56.44 5.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.194 -0.941 . . . . 0.0 110.659 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.76 -40.44 98.13 Favored Glycine 0 N--CA 1.487 2.048 0 C-N-CA 119.523 -1.322 . . . . 0.0 110.097 -178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -60.03 -46.58 89.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.975 -1.309 . . . . 0.0 109.418 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.56 -38.96 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.823 -1.173 . . . . 0.0 109.202 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.91 -28.82 69.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 120.764 -1.21 . . . . 0.0 108.84 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.08 -35.51 75.35 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.436 -0.79 . . . . 0.0 109.455 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -57.43 -35.0 69.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.274 -0.891 . . . . 0.0 108.802 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.54 20.68 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.275 -0.891 . . . . 0.0 108.786 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.2 41.8 91.75 Favored Glycine 0 N--CA 1.485 1.954 0 O-C-N 121.304 -0.872 . . . . 0.0 111.104 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' NE2' ' CG ' ' B' ' 201' ' ' MET . 37.3 mm-40 -113.8 151.88 31.41 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.41 -1.053 . . . . 0.0 109.488 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -142.04 65.81 19.74 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.84 165.05 27.08 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.985 2.456 . . . . 0.0 112.406 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 p -104.08 163.83 12.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.631 0.729 . . . . 0.0 109.471 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.08 -41.94 97.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.371 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.27 93.79 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.004 -1.06 . . . . 0.0 110.042 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -63.97 -43.99 94.09 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.024 -1.047 . . . . 0.0 110.402 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.19 -24.41 63.12 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.148 -0.97 . . . . 0.0 109.872 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -59.52 -47.7 84.53 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.955 -1.091 . . . . 0.0 109.389 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.39 -39.95 92.57 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.217 -0.927 . . . . 0.0 109.977 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 ttt -60.03 -53.71 54.64 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.201 -0.937 . . . . 0.0 110.65 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.83 -36.16 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.146 -0.971 . . . . 0.0 110.584 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -58.08 -36.75 73.3 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.54 -0.725 . . . . 0.0 110.672 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.04 -17.26 16.49 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.039 -1.038 . . . . 0.0 110.888 -178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -135.17 24.58 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.368 0 O-C-N 121.113 -0.992 . . . . 0.0 111.965 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -89.46 100.12 12.98 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.395 -1.441 . . . . 0.0 108.936 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.57 -17.27 22.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.184 -0.947 . . . . 0.0 110.035 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -90.28 -14.66 32.79 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.054 -1.029 . . . . 0.0 108.483 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.03 18.99 69.52 Favored Glycine 0 N--CA 1.483 1.78 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.433 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.12 2.05 55.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.584 -0.951 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.37 22.79 74.92 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.1 p -142.3 160.5 40.12 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.225 -1.162 . . . . 0.0 108.203 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.86 120.09 48.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.228 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -89.07 154.05 20.49 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.95 -1.1 . . . . 0.0 108.399 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -44.73 -54.18 13.5 Favored Pre-proline 0 C--N 1.3 -1.584 0 O-C-N 121.083 -1.011 . . . . 0.0 112.137 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.69 -32.93 97.9 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 CA-C-N 120.923 1.365 . . . . 0.0 111.509 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -64.22 -42.95 96.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.628 -1.295 . . . . 0.0 107.649 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -61.67 -44.72 96.41 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.467 0.651 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.97 -39.9 79.29 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-O 121.695 0.76 . . . . 0.0 109.993 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.1 m -63.81 -43.34 96.56 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.8 -0.563 . . . . 0.0 109.8 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.3 ttp -64.14 -40.23 95.72 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.119 -0.988 . . . . 0.0 109.573 -178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.92 -42.14 93.3 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.005 -1.06 . . . . 0.0 110.356 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.87 -24.12 48.62 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.962 -1.086 . . . . 0.0 109.049 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.29 -18.61 11.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.405 -0.81 . . . . 0.0 109.907 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HZ3' ' CB ' ' B' ' 209' ' ' SER . 39.0 ttpt -57.51 -43.19 84.07 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.32 -39.36 90.25 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -69.51 -22.75 63.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.04 -1.037 . . . . 0.0 109.228 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 53.94 46.35 25.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.394 -0.816 . . . . 0.0 110.303 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -63.43 1.34 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.04 -1.038 . . . . 0.0 109.495 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.472 ' O ' ' OE1' ' A' ' 84' ' ' GLU . 97.8 m-20 -88.15 -12.22 44.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.045 -1.034 . . . . 0.0 108.672 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -48.21 -33.94 9.35 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.147 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.12 -41.94 98.73 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.899 -1.125 . . . . 0.0 108.479 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.03 -45.57 84.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.537 -0.727 . . . . 0.0 110.224 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' B' ' 203' ' ' VAL . 6.5 mp0 -67.44 -36.95 82.23 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.351 -0.843 . . . . 0.0 110.473 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.45 -44.21 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.259 -0.901 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -67.64 -38.25 83.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.664 -1.272 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' OE1' ' OD1' ' B' ' 202' ' ' ASP . 82.2 tt0 -64.64 -38.3 90.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.949 -1.094 . . . . 0.0 109.85 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.26 -29.77 34.74 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.162 -0.961 . . . . 0.0 109.265 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.7 t80 -57.85 -38.93 76.55 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.33 -40.7 98.04 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.548 -0.72 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -74.49 -41.42 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.093 -1.004 . . . . 0.0 109.256 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -70.57 -40.11 73.49 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.164 -0.96 . . . . 0.0 109.287 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -79.94 81.52 6.18 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.083 -1.011 . . . . 0.0 109.462 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.544 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -66.6 -42.57 86.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.576 -0.703 . . . . 0.0 111.315 -179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -68.17 -27.03 66.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.984 -1.072 . . . . 0.0 110.822 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.01 14.05 80.56 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.631 -1.271 . . . . 0.0 110.015 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.543 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 37.0 p-10 -69.65 -7.28 37.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.945 -1.327 . . . . 0.0 108.863 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.04 -5.99 82.89 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 108.749 -1.74 . . . . 0.0 108.749 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.543 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 64.2 m-85 -133.24 142.21 48.43 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' OE1' ' A' ' 104' ' ' GLU . 80.0 mt -95.17 120.88 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.44 -1.413 . . . . 0.0 109.598 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -94.08 165.88 12.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.329 -0.857 . . . . 0.0 110.454 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.27 97.1 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.702 -0.623 . . . . 0.0 111.934 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.08 89.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.521 -1.362 . . . . 0.0 109.652 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.5 tt0 -63.13 -42.08 99.44 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.585 -0.697 . . . . 0.0 111.965 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.587 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.6 tt -62.82 -35.5 80.12 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 110.937 -177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -67.28 -37.95 84.26 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.943 -1.098 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -56.17 -56.52 19.87 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.205 -0.934 . . . . 0.0 112.717 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.61 -40.28 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.079 -1.013 . . . . 0.0 108.557 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.5 mtp -63.17 -38.96 93.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.843 -1.161 . . . . 0.0 109.832 178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -66.96 -40.38 87.48 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.453 -0.779 . . . . 0.0 110.359 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -62.72 -22.55 66.6 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.203 -0.936 . . . . 0.0 110.548 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.3 mt -97.88 13.58 30.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.193 -0.942 . . . . 0.0 109.928 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.51 18.55 79.95 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -109.19 142.24 40.28 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.599 -0.942 . . . . 0.0 109.41 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -157.8 131.58 7.95 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.887 . . . . 0.0 109.603 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.511 HD21 ' HB1' ' B' ' 218' ' ' ALA . 2.0 mp -118.38 -171.07 2.01 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.2 p -99.04 161.74 13.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.081 -1.012 . . . . 0.0 109.093 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -59.11 -41.15 87.46 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -0.999 . . . . 0.0 109.984 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.41 -42.01 95.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.368 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.73 -43.46 98.75 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.215 -0.928 . . . . 0.0 109.538 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -73.22 -34.51 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.8 -43.83 94.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.106 -0.996 . . . . 0.0 109.518 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.45 -38.04 89.61 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.13 -0.982 . . . . 0.0 110.199 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.0 mtt -54.77 -42.16 71.37 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.118 -0.989 . . . . 0.0 109.625 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.88 -42.05 93.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.268 -0.895 . . . . 0.0 109.222 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -59.58 -46.92 87.52 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.868 -1.145 . . . . 0.0 110.637 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.33 -39.09 89.02 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.055 -1.028 . . . . 0.0 111.622 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.14 -0.77 57.71 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.81 -1.181 . . . . 0.0 111.204 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.03 84.31 6.51 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.697 -1.252 . . . . 0.0 110.05 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -92.6 -45.73 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 111.163 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.0 p30 -76.19 -25.89 55.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.002 -1.061 . . . . 0.0 109.145 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.571 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.0 21.23 65.99 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.43 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 57.1 p-10 -78.88 -7.64 58.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.426 -1.044 . . . . 0.0 110.075 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.25 -11.3 68.05 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.6 mp0 -130.92 161.85 30.97 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.212 -1.17 . . . . 0.0 108.42 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.31 125.18 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.603 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.88 -178.65 3.64 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.898 0.856 . . . . 0.0 110.9 -177.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.9 m-85 -59.43 -39.82 84.73 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.39 -50.28 74.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.412 -0.805 . . . . 0.0 109.835 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -67.72 -42.36 82.05 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.236 -0.915 . . . . 0.0 109.554 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -62.44 -47.56 83.5 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.756 -0.59 . . . . 0.0 111.006 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.94 -43.36 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.448 0 O-C-N 119.97 -1.706 . . . . 0.0 108.575 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.12 -36.92 85.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 110.762 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.7 ttp -60.18 -38.4 83.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 110.219 -178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.1 mtp -80.55 -20.47 43.38 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.124 -0.985 . . . . 0.0 112.642 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.42 56.12 3.81 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 120.186 -1.571 . . . . 0.0 109.837 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.52 139.09 41.53 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.2 -0.937 . . . . 0.0 109.537 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.384 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.424 ' O ' ' OE2' ' A' ' 87' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.696 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.568 ' CG ' ' NE2' ' A' ' 41' ' ' GLN . 93.2 mmm -102.78 20.63 16.98 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.461 -0.774 . . . . 0.0 109.504 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 43.9 p-10 -54.94 -34.85 63.61 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 118.954 -1.099 . . . . 0.0 109.331 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.538 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 4.2 p -66.82 -22.59 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.143 -0.973 . . . . 0.0 110.367 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.39 -48.65 76.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.644 -1.285 . . . . 0.0 109.474 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.0 mtp -65.61 -43.83 88.4 Favored 'General case' 0 N--CA 1.507 2.392 0 O-C-N 120.908 -1.12 . . . . 0.0 110.328 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -71.74 -40.08 69.64 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 110.547 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -70.22 -1.1 32.75 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.8 OUTLIER -36.93 -56.07 0.88 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.813 -0.816 . . . . 0.0 110.13 -179.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.447 ' CB ' ' HZ3' ' A' ' 75' ' ' LYS . 73.7 m -68.67 -40.26 80.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.964 -1.085 . . . . 0.0 110.104 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -84.29 6.59 22.33 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.236 -0.915 . . . . 0.0 110.27 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -61.97 -24.95 67.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.013 -1.054 . . . . 0.0 109.679 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -166.58 -6.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.91 -1.119 . . . . 0.0 110.098 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.404 ' O ' HG12 ' B' ' 216' ' ' VAL . 88.9 tt0 -61.64 -50.01 74.26 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.066 -1.021 . . . . 0.0 110.993 -178.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.5 -44.85 94.6 Favored Glycine 0 N--CA 1.502 3.076 0 C-N-CA 119.559 -1.305 . . . . 0.0 110.76 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' B' ' 217' ' ' ALA . 0.5 OUTLIER -71.63 -10.97 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.912 -1.346 . . . . 0.0 110.706 -179.146 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.404 HG12 ' O ' ' B' ' 213' ' ' GLU . 2.9 p -50.5 -9.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.881 -1.137 . . . . 0.0 109.735 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' B' ' 215' ' ' VAL . . . -61.55 -38.53 87.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.176 -0.953 . . . . 0.0 110.597 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.663 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -59.66 -39.85 85.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.02 -1.05 . . . . 0.0 110.192 -178.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 74.63 169.65 0.29 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.219 -0.926 . . . . 0.0 109.461 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.312 0.577 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -81.95 -7.7 59.63 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.266 -0.896 . . . . 0.0 109.236 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.431 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 4.4 mp0 -62.77 -40.37 97.07 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.147 -0.97 . . . . 0.0 109.452 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 9' ' ' ILE . 1.7 tp -87.33 143.14 27.4 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.108 -0.995 . . . . 0.0 108.999 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.9 p -109.17 155.86 20.54 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.697 0.761 . . . . 0.0 110.874 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -67.13 -38.26 85.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.795 -0.566 . . . . 0.0 109.763 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.65 -41.6 99.14 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.16 -0.962 . . . . 0.0 110.5 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -64.84 -39.85 94.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.072 -1.018 . . . . 0.0 110.543 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.476 HD11 HD23 ' A' ' 4' ' ' LEU . 70.5 mt -59.98 -39.91 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.443 -1.411 . . . . 0.0 109.376 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.26 75.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.878 -1.139 . . . . 0.0 109.867 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.89 -41.55 96.27 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.878 -1.139 . . . . 0.0 110.232 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -85.67 -19.15 31.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.927 -1.108 . . . . 0.0 109.202 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.65 -41.84 95.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.838 -1.164 . . . . 0.0 109.236 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.97 -43.14 99.19 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.916 -1.115 . . . . 0.0 109.092 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.15 80.14 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.195 -0.941 . . . . 0.0 109.167 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -57.28 -44.92 84.45 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.736 . . . . 0.0 111.378 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -60.93 -37.17 81.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.039 -1.038 . . . . 0.0 112.005 -177.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.87 -42.98 69.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.626 -1.296 . . . . 0.0 110.656 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -67.25 -37.85 84.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.787 -1.195 . . . . 0.0 109.165 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 26' ' ' THR . 33.2 t70 -85.73 86.22 7.37 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.469 -1.394 . . . . 0.0 110.009 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.03 -38.28 88.11 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.483 -0.761 . . . . 0.0 111.369 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.2 p30 -64.33 -24.01 67.5 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.711 -1.243 . . . . 0.0 110.427 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.74 18.37 78.74 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' OD2' ' OD2' ' A' ' 22' ' ' ASP . 58.5 p-10 -80.94 -0.56 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.122 -1.223 . . . . 0.0 109.474 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 4.75 90.22 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.4 p -134.9 146.31 49.06 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.041 . . . . 0.0 108.444 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.6 mt -99.27 132.25 45.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.526 -0.734 . . . . 0.0 109.347 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -109.34 158.66 17.69 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.379 0.609 . . . . 0.0 110.485 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 57.3 p -57.76 -35.53 70.88 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.404 -0.81 . . . . 0.0 110.685 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.16 -39.61 86.53 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.036 -1.04 . . . . 0.0 109.603 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.23 -40.97 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.367 -0.833 . . . . 0.0 111.003 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD22 ' H ' ' B' ' 201' ' ' MET . 10.0 mt -70.63 -53.35 16.2 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.191 -0.943 . . . . 0.0 110.267 -178.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.13 -40.61 99.18 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.542 -1.313 . . . . 0.0 109.891 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -59.98 -46.61 88.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.116 -1.226 . . . . 0.0 109.131 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.6 -38.03 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 120.784 -1.197 . . . . 0.0 108.974 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.6 ttp -66.27 -29.33 69.54 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 120.753 -1.217 . . . . 0.0 108.651 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.12 -37.99 81.7 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.807 . . . . 0.0 109.625 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.9 m -57.66 -32.41 67.27 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.189 -0.945 . . . . 0.0 108.851 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -68.45 19.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.81 38.39 95.51 Favored Glycine 0 N--CA 1.485 1.935 0 O-C-N 121.05 -1.032 . . . . 0.0 111.002 178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -111.16 154.87 23.73 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.467 -1.02 . . . . 0.0 109.583 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -138.51 69.74 45.84 Favored Pre-proline 0 C--N 1.296 -1.734 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.95 163.41 28.46 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.899 2.4 . . . . 0.0 113.084 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.2 p -106.8 164.04 12.44 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.748 0.785 . . . . 0.0 109.151 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.52 -41.83 95.17 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.345 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.8 95.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.915 -1.116 . . . . 0.0 110.346 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.08 -45.83 86.98 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.982 -1.074 . . . . 0.0 110.308 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.36 -34.29 76.99 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.378 -0.826 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -58.55 -47.7 83.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.093 -1.004 . . . . 0.0 109.328 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.55 -39.54 93.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 110.355 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.525 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 35.4 mtt -59.0 -51.22 71.01 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.852 -1.155 . . . . 0.0 110.322 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.51 -35.98 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.071 -1.018 . . . . 0.0 111.006 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -55.91 -32.99 64.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.817 . . . . 0.0 110.313 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -62.37 -20.07 64.04 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.313 -0.867 . . . . 0.0 111.805 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -133.68 28.83 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 O-C-N 120.939 -1.101 . . . . 0.0 111.557 -179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -92.14 103.07 15.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.797 -1.189 . . . . 0.0 108.671 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 -27.78 15.86 Favored 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.028 -1.045 . . . . 0.0 110.577 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.9 p30 -85.65 -13.02 49.89 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.842 -1.161 . . . . 0.0 109.033 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.72 22.95 72.18 Favored Glycine 0 N--CA 1.486 1.98 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -93.81 1.52 56.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.378 -1.072 . . . . 0.0 110.078 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.93 19.32 76.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.438 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.0 p -140.55 162.23 35.85 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 77.3 mt -103.93 120.91 54.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -90.94 153.86 19.87 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.544 -179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.4 t80 -45.05 -51.69 22.55 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.312 -0.868 . . . . 0.0 111.871 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.74 -33.08 96.47 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.926 1.367 . . . . 0.0 111.345 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.63 -44.14 91.45 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.602 -1.311 . . . . 0.0 107.659 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -60.95 -43.89 98.07 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.615 0.722 . . . . 0.0 110.077 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.09 -39.8 83.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.693 0.759 . . . . 0.0 109.672 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.65 -43.68 98.4 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.563 ' CG ' ' HZ3' ' B' ' 206' ' ' LYS . 17.5 ttp -63.21 -40.2 96.8 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -59.74 -43.77 94.08 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.912 -1.117 . . . . 0.0 110.504 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.64 -24.2 45.38 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.96 -1.088 . . . . 0.0 108.793 178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.58 -18.25 7.18 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.465 -0.772 . . . . 0.0 109.729 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HZ2' ' HA ' ' B' ' 210' ' ' LYS . 64.8 tttp -57.39 -45.9 84.03 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.486 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 3.7 mpp? -64.0 -44.12 93.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.065 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -71.24 -37.78 71.98 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.978 -1.077 . . . . 0.0 109.997 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.473 ' CG ' ' NZ ' ' B' ' 210' ' ' LYS . 46.9 t0 57.79 56.18 4.96 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.599 -0.688 . . . . 0.0 109.482 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.39 -67.04 0.85 Allowed 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.193 -0.942 . . . . 0.0 109.779 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.74 -25.41 21.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 108.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.8 t -49.47 -30.29 7.96 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.66 -45.28 89.69 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.275 -0.891 . . . . 0.0 108.761 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.91 -41.11 95.47 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.529 -0.732 . . . . 0.0 109.859 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.56 -20.15 60.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.044 -1.035 . . . . 0.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.75 -41.67 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 109.027 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.88 -38.45 91.02 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 120.467 -1.396 . . . . 0.0 110.242 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.92 -36.45 84.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.875 -1.141 . . . . 0.0 109.572 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.58 -31.74 62.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 109.572 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 41.5 t80 -55.28 -37.54 67.43 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.049 -1.032 . . . . 0.0 108.384 178.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -62.35 -40.8 97.59 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.44 -0.787 . . . . 0.0 110.396 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -39.62 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.086 -1.009 . . . . 0.0 109.331 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -73.64 -42.24 61.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 109.555 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -82.18 82.94 7.53 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 109.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -65.93 -42.86 89.55 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.645 -0.66 . . . . 0.0 111.434 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 51.5 p30 -67.96 -26.68 66.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.909 -1.12 . . . . 0.0 110.877 -178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.49 15.12 80.55 Favored Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.548 -1.31 . . . . 0.0 109.869 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.536 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 36.1 p-10 -70.33 -8.73 52.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.298 . . . . 0.0 109.069 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.33 -7.22 81.84 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 76.0 m-85 -132.38 137.51 47.37 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.8 mt -91.18 122.24 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.301 -1.499 . . . . 0.0 109.789 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.5 p -94.55 166.13 12.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.206 -0.934 . . . . 0.0 110.531 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.75 97.79 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.743 -0.598 . . . . 0.0 111.693 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.54 91.45 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.54 -1.35 . . . . 0.0 109.583 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.535 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.7 tt0 -63.04 -41.61 99.55 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.544 -0.723 . . . . 0.0 111.608 -178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.56 HD23 ' SD ' ' A' ' 109' ' ' MET . 2.7 tt -64.84 -37.85 89.02 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.981 -1.074 . . . . 0.0 111.307 -177.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -65.23 -37.42 87.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.835 -1.166 . . . . 0.0 110.725 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -57.63 -56.59 19.98 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.33 -0.856 . . . . 0.0 112.543 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.99 -39.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.241 -0.912 . . . . 0.0 109.022 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.56 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.6 mtp -62.44 -38.17 88.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.972 -1.08 . . . . 0.0 110.446 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.0 m -64.8 -40.51 95.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.247 -0.908 . . . . 0.0 110.46 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -63.58 -23.21 67.29 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.978 -1.076 . . . . 0.0 110.638 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.8 mt -94.87 9.7 38.18 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.154 -0.966 . . . . 0.0 109.773 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.92 18.5 80.16 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.27 143.17 40.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.605 -0.938 . . . . 0.0 109.47 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -157.76 130.99 7.64 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.293 -0.879 . . . . 0.0 109.684 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -116.39 -170.28 1.78 Allowed 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.2 p -100.67 161.46 13.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.086 -1.009 . . . . 0.0 109.16 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -58.99 -40.71 85.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.189 -0.944 . . . . 0.0 110.087 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -60.18 -41.85 93.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 108.989 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.7 t -72.27 -37.7 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.09 -47.35 86.7 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.058 -1.026 . . . . 0.0 109.867 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.69 -38.4 89.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.619 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ttt -59.02 -43.67 91.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.969 -1.082 . . . . 0.0 109.165 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -66.64 -39.12 83.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.254 -0.904 . . . . 0.0 108.798 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -60.1 -47.33 86.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.112 -0.992 . . . . 0.0 110.721 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.75 -40.19 72.85 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.013 -1.054 . . . . 0.0 112.184 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.88 -20.81 59.57 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.867 -1.145 . . . . 0.0 110.643 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -68.57 97.96 0.83 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.947 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.18 -45.56 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.572 -0.705 . . . . 0.0 111.085 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.7 p-10 -75.02 -25.13 58.54 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 108.749 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.5 19.78 57.79 Favored Glycine 0 N--CA 1.48 1.63 0 C-N-CA 119.515 -1.326 . . . . 0.0 109.942 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -80.26 -5.18 55.79 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.294 -1.121 . . . . 0.0 110.064 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.76 -0.67 81.4 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -137.55 154.54 49.8 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.412 -1.052 . . . . 0.0 108.424 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.7 t -97.65 122.31 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.36 -175.38 2.76 Favored 'General case' 0 N--CA 1.493 1.703 0 CA-C-O 121.833 0.825 . . . . 0.0 110.327 -177.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.4 m-85 -61.21 -39.77 91.46 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.85 -51.03 71.05 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.303 -0.873 . . . . 0.0 109.896 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -67.39 -41.19 85.39 Favored 'General case' 0 C--N 1.307 -1.267 0 O-C-N 121.114 -0.992 . . . . 0.0 109.343 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -62.49 -47.75 82.61 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.725 -0.609 . . . . 0.0 110.554 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.413 ' O ' ' HE2' ' A' ' 145' ' ' MET . 86.2 t -68.29 -42.38 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 120.154 -1.591 . . . . 0.0 108.248 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -69.62 -36.48 76.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.274 -0.891 . . . . 0.0 112.221 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttt -58.64 -48.43 81.06 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.813 -1.179 . . . . 0.0 110.844 -177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.413 ' HE2' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -68.12 -5.54 18.37 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.132 -0.98 . . . . 0.0 112.832 -179.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -94.04 52.36 1.62 Allowed 'General case' 0 N--CA 1.51 2.566 0 O-C-N 120.213 -1.554 . . . . 0.0 109.523 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.16 140.26 39.39 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.57 -0.706 . . . . 0.0 109.32 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.397 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.525 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.213 -0.824 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.575 ' H ' HD22 ' A' ' 32' ' ' LEU . 96.8 mtp -104.6 19.98 19.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.431 -0.793 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 28.8 p-10 -55.85 -52.15 65.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.056 -1.028 . . . . 0.0 111.151 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.419 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 7.6 p -75.32 -28.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 120.501 -1.374 . . . . 0.0 111.457 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.78 -49.0 66.44 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.923 -1.111 . . . . 0.0 110.929 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 5.8 ptp -87.52 -34.3 18.66 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.863 -1.148 . . . . 0.0 110.317 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.563 ' HZ3' ' CG ' ' A' ' 71' ' ' MET . 13.5 ttmm -65.27 -39.94 93.27 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.897 -1.127 . . . . 0.0 110.19 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.92 -41.07 99.17 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 119.908 -1.139 . . . . 0.0 110.847 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.536 ' O ' HD12 ' B' ' 208' ' ' LEU . 0.1 OUTLIER -76.78 -47.11 22.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.708 -1.466 . . . . 0.0 109.001 -179.736 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.433 ' N ' ' HG ' ' B' ' 208' ' ' LEU . 87.8 p -64.28 -39.69 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.088 -1.007 . . . . 0.0 109.111 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.473 ' NZ ' ' CG ' ' A' ' 78' ' ' ASP . 56.4 tptt -63.85 -45.46 89.38 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.167 -0.958 . . . . 0.0 108.977 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -71.7 -21.8 61.73 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.345 -0.847 . . . . 0.0 109.524 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.463 ' O ' HG12 ' B' ' 215' ' ' VAL . 64.6 tttm -61.03 -44.46 97.38 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.088 -1.008 . . . . 0.0 108.939 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.73 -40.03 95.74 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.26 -0.9 . . . . 0.0 109.599 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' B' ' 216' ' ' VAL . . . -60.13 -39.52 95.94 Favored Glycine 0 N--CA 1.498 2.825 0 C-N-CA 119.923 -1.132 . . . . 0.0 110.641 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.5 OUTLIER -55.47 -9.68 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.574 -1.545 . . . . 0.0 109.558 -179.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' B' ' 214' ' ' GLY . 52.9 t -61.96 -39.04 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.33 -0.856 . . . . 0.0 109.774 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -54.33 -10.16 0.36 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.124 -0.985 . . . . 0.0 110.076 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' B' ' 219' ' ' ALA . . . -60.02 -39.91 87.47 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.95 -1.094 . . . . 0.0 109.271 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' B' ' 218' ' ' ALA . . . 179.18 -80.5 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.286 -0.883 . . . . 0.0 109.431 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.818 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -83.99 75.81 10.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.269 -0.894 . . . . 0.0 109.141 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 53.61 -163.79 0.1 Allowed 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 4' ' ' LEU . 8.5 tp -78.91 142.51 36.69 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.114 -0.991 . . . . 0.0 109.035 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.8 p -108.03 156.5 19.18 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 121.575 0.703 . . . . 0.0 110.564 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.02 -42.17 94.65 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.625 -0.672 . . . . 0.0 110.273 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -62.69 -33.57 75.36 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.118 -0.989 . . . . 0.0 110.551 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -62.03 -41.21 97.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.304 -0.873 . . . . 0.0 109.409 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.99 -39.82 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 120.926 -1.108 . . . . 0.0 109.815 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.53 -33.42 74.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.856 -1.152 . . . . 0.0 109.749 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.36 -43.18 99.42 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.984 -1.072 . . . . 0.0 110.24 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.9 -18.22 31.37 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.837 -1.164 . . . . 0.0 109.647 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -63.55 -43.54 96.77 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.744 -1.222 . . . . 0.0 109.323 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.62 -45.82 92.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.138 -0.976 . . . . 0.0 109.031 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.89 -36.17 83.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.343 -0.848 . . . . 0.0 109.423 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -57.5 -45.6 84.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.334 -0.853 . . . . 0.0 111.095 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.1 p -62.84 -21.89 66.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.897 -1.127 . . . . 0.0 111.676 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -41.56 88.2 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.457 -1.402 . . . . 0.0 110.074 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.52 -36.56 73.81 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.058 -1.026 . . . . 0.0 109.907 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' A' ' 26' ' ' THR . 56.3 t0 -82.55 83.26 7.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.657 -1.277 . . . . 0.0 109.654 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.53 -25.53 68.03 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.29 -0.881 . . . . 0.0 110.06 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.19 -28.62 70.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.142 -0.974 . . . . 0.0 110.461 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.29 6.34 86.28 Favored Glycine 0 N--CA 1.497 2.752 0 O-C-N 120.374 -1.454 . . . . 0.0 110.126 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -88.94 3.81 50.18 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.285 -1.127 . . . . 0.0 109.911 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.27 9.58 86.86 Favored Glycine 0 N--CA 1.488 2.156 0 C-N-CA 119.815 -1.183 . . . . 0.0 110.227 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 80.8 p -136.0 150.35 49.2 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.314 -1.11 . . . . 0.0 108.967 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.5 mt -102.84 130.71 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -108.06 157.49 18.21 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.232 0.539 . . . . 0.0 109.701 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -55.38 -35.44 65.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.035 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -65.81 -41.62 91.63 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.95 -41.61 91.05 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.39 -0.819 . . . . 0.0 111.551 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' B' ' 200' ' ' ACE . 0.3 OUTLIER -71.13 -55.75 7.54 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.158 -0.964 . . . . 0.0 110.506 -178.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.3 96.74 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.48 -1.343 . . . . 0.0 109.965 -178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.0 m -61.27 -46.96 88.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.121 -1.223 . . . . 0.0 110.046 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 p -76.19 -38.31 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.638 -1.289 . . . . 0.0 109.327 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.562 ' SD ' ' SD ' ' B' ' 201' ' ' MET . 38.3 ttp -63.96 -34.64 78.44 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.103 -0.998 . . . . 0.0 109.191 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -55.38 -33.95 63.91 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.576 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.5 m -59.33 -35.89 74.68 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.233 -0.917 . . . . 0.0 108.88 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -66.72 15.73 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.382 -0.824 . . . . 0.0 109.03 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 69.03 35.6 78.99 Favored Glycine 0 N--CA 1.485 1.9 0 O-C-N 121.184 -0.947 . . . . 0.0 111.55 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -114.29 156.48 24.29 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.316 -1.108 . . . . 0.0 109.747 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.0 p30 -143.07 71.9 18.42 Favored Pre-proline 0 C--N 1.3 -1.557 0 O-C-N 121.738 -0.601 . . . . 0.0 109.894 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -76.53 163.39 32.03 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.827 2.351 . . . . 0.0 112.926 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -103.74 169.24 8.64 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.608 0.718 . . . . 0.0 109.576 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.0 -42.24 93.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.597 -0.69 . . . . 0.0 110.275 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.96 96.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.084 -1.01 . . . . 0.0 110.604 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.34 -45.28 88.52 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.595 -1.315 . . . . 0.0 109.761 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -66.16 -38.15 87.37 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.464 -0.773 . . . . 0.0 110.695 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -59.85 -46.82 88.08 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.893 -1.129 . . . . 0.0 109.682 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -61.07 -43.95 98.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.206 -0.934 . . . . 0.0 110.39 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 mtt -60.78 -55.22 35.74 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 111.111 -179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -38.56 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 120.914 -1.116 . . . . 0.0 110.591 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -57.43 -34.97 69.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.369 -0.832 . . . . 0.0 110.343 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.62 -18.52 42.15 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.213 -0.929 . . . . 0.0 111.739 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -133.06 23.74 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 120.99 -1.069 . . . . 0.0 111.878 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.18 103.58 16.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.604 -1.31 . . . . 0.0 108.453 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.01 -24.67 17.54 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.009 -1.057 . . . . 0.0 110.872 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 19.5 p30 -89.52 -7.89 53.96 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.75 -1.219 . . . . 0.0 108.909 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.15 24.07 68.49 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.6 p30 -94.44 2.06 55.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.42 -1.047 . . . . 0.0 110.08 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.87 21.21 75.05 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.6 p -141.41 160.02 41.01 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.126 -1.22 . . . . 0.0 107.994 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.3 mt -100.63 121.46 51.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.41 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -91.19 155.04 18.89 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.84 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 13.2 t80 -45.82 -52.78 23.52 Favored Pre-proline 0 C--N 1.299 -1.603 0 O-C-N 121.338 -0.851 . . . . 0.0 111.978 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.42 -33.62 97.4 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 CA-C-N 120.824 1.33 . . . . 0.0 111.379 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.27 -43.39 94.99 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.03 -45.52 93.22 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.638 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.72 -41.0 80.89 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.787 0.803 . . . . 0.0 109.691 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.6 m -63.3 -42.75 99.09 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.5 ttp -63.19 -42.02 99.28 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.247 -0.908 . . . . 0.0 109.382 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.23 -42.33 95.02 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 120.819 -1.176 . . . . 0.0 110.483 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 -25.02 48.91 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.891 -1.131 . . . . 0.0 108.957 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -51.57 -17.79 0.94 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.362 -0.836 . . . . 0.0 108.928 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' N ' ' HZ1' ' B' ' 206' ' ' LYS . 63.4 tttm -58.99 -42.41 89.98 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.611 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -62.3 -39.36 92.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.798 -0.564 . . . . 0.0 109.68 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -76.51 -12.73 60.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.011 -1.056 . . . . 0.0 109.8 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 96.2 m-20 52.41 44.53 29.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 0.0 110.467 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.03 -60.04 2.09 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.89 -1.131 . . . . 0.0 109.41 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -85.93 -10.91 54.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.084 -1.01 . . . . 0.0 108.548 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 m -48.57 -37.62 18.39 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -178.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -61.7 -43.44 98.85 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.568 -1.332 . . . . 0.0 109.572 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.21 -41.57 73.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.257 -0.902 . . . . 0.0 112.753 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -72.3 -31.71 65.95 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 120.498 -1.376 . . . . 0.0 110.613 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 145' ' ' MET . 68.4 mt -64.25 -43.26 97.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.814 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.113 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.84 -38.4 88.8 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 120.662 -1.274 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.73 -38.71 91.9 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.999 -1.063 . . . . 0.0 109.954 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.15 -35.55 69.65 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.23 -0.919 . . . . 0.0 110.311 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 36.9 t80 -58.59 -39.42 80.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.886 -1.134 . . . . 0.0 108.662 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.6 -40.02 95.59 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.673 -0.642 . . . . 0.0 110.218 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.91 -41.84 46.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 O-C-N 121.12 -0.987 . . . . 0.0 109.39 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -70.7 -41.1 72.42 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 119.623 -0.831 . . . . 0.0 109.651 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -83.49 85.83 7.19 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.835 -1.166 . . . . 0.0 110.264 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 87.7 tttt -67.14 -39.63 86.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.678 -0.639 . . . . 0.0 111.434 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -67.68 -29.25 68.48 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.971 -1.08 . . . . 0.0 110.9 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.16 84.71 Favored Glycine 0 N--CA 1.488 2.123 0 C-N-CA 119.391 -1.385 . . . . 0.0 109.655 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.497 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.9 p-10 -69.32 -7.13 34.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.076 -1.249 . . . . 0.0 109.284 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.11 -3.51 85.66 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 62.6 m-85 -134.34 140.93 46.7 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.6 mt -95.95 122.02 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.841 -1.162 . . . . 0.0 109.829 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.5 p -95.11 167.06 11.61 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.238 -0.914 . . . . 0.0 110.96 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.08 98.13 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.74 -0.6 . . . . 0.0 112.193 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -38.25 90.38 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.4 -1.437 . . . . 0.0 109.472 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.574 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 44.1 tt0 -63.38 -41.87 98.81 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.647 -0.658 . . . . 0.0 112.042 -178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.4 tt -64.13 -36.48 84.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.031 -1.043 . . . . 0.0 111.633 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -67.18 -33.96 76.51 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.733 -1.23 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CE1' HD21 ' A' ' 111' ' ' ASN . 21.2 t60 -57.77 -57.41 12.86 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.17 -0.956 . . . . 0.0 112.829 -178.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.71 -39.41 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.086 -1.009 . . . . 0.0 108.895 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.569 ' SD ' HD23 ' A' ' 105' ' ' LEU . 92.9 mtp -62.55 -38.82 91.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.966 -1.084 . . . . 0.0 110.446 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -66.99 -40.11 87.3 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.215 -0.928 . . . . 0.0 110.988 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.509 HD21 ' CE1' ' A' ' 107' ' ' HIS . 97.3 m-20 -62.41 -21.52 65.46 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 110.589 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.1 mt -96.74 12.82 30.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.254 -0.904 . . . . 0.0 109.893 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.05 21.61 78.9 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -112.5 144.42 42.0 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.59 -0.947 . . . . 0.0 109.401 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -157.64 133.3 9.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.914 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.2 mp -119.53 -172.54 2.34 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -99.81 162.69 12.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.121 -0.987 . . . . 0.0 109.176 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -59.68 -39.87 85.97 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.049 -1.032 . . . . 0.0 110.126 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.19 -41.81 97.48 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.076 -1.015 . . . . 0.0 109.255 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.33 -43.46 97.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.333 -0.854 . . . . 0.0 109.728 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.8 t -72.06 -36.91 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.77 -47.18 87.48 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.037 -1.04 . . . . 0.0 109.998 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 65.5 mm-40 -64.35 -38.74 92.09 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.198 -0.939 . . . . 0.0 110.495 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.9 mtt -60.78 -40.5 92.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.027 -1.046 . . . . 0.0 108.987 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.76 -40.99 79.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.139 -0.976 . . . . 0.0 108.65 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 46.1 ttp180 -60.69 -47.22 87.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.206 -0.934 . . . . 0.0 110.992 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.56 -40.11 73.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.943 -1.098 . . . . 0.0 111.888 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.93 -19.41 60.14 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.848 -1.157 . . . . 0.0 111.204 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -68.05 97.37 0.68 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.902 -1.124 . . . . 0.0 110.219 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.06 -48.09 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.361 -0.837 . . . . 0.0 111.493 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 50.2 p-10 -74.12 -25.83 59.99 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.073 -1.017 . . . . 0.0 108.709 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.31 19.51 58.64 Favored Glycine 0 N--CA 1.481 1.636 0 C-N-CA 119.491 -1.338 . . . . 0.0 110.099 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.4 p30 -78.67 -8.98 59.22 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.293 -1.121 . . . . 0.0 110.025 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.0 -9.12 75.84 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.035 -1.078 . . . . 0.0 110.53 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.0 mp0 -131.19 157.19 43.85 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.193 -1.181 . . . . 0.0 108.699 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -92.36 123.89 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.587 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.65 179.87 4.06 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.068 0.937 . . . . 0.0 110.779 -177.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 10.5 m-85 -60.06 -39.6 86.58 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -59.27 -49.36 78.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.243 -0.91 . . . . 0.0 109.776 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -68.89 -39.98 79.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.242 -0.911 . . . . 0.0 109.319 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -67.56 -42.05 83.24 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.882 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.86 -38.76 83.57 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 119.99 -1.694 . . . . 0.0 108.492 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -60.65 -38.57 85.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.498 -0.751 . . . . 0.0 111.233 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.3 mmt -67.32 -36.59 81.77 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.94 -1.1 . . . . 0.0 111.173 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.471 ' HB2' HD13 ' A' ' 85' ' ' ILE . 15.2 mtp -92.98 3.95 54.85 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.063 -1.023 . . . . 0.0 111.252 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.68 53.27 1.58 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.358 -0.839 . . . . 0.0 109.354 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.73 145.78 33.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.412 -0.805 . . . . 0.0 109.587 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.931 179.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.8 ' H1 ' ' CD2' ' B' ' 204' ' ' PHE . . . . . . . . 0 C--O 1.212 -0.883 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.562 ' SD ' ' SD ' ' A' ' 36' ' ' MET . 21.7 mmt -59.46 152.65 21.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.226 -0.921 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 39.7 p-10 -53.27 -41.87 65.96 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.169 -1.582 . . . . 0.0 108.474 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.549 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.8 p -75.59 -31.06 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.989 -1.069 . . . . 0.0 110.317 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.8 ' CD2' ' H1 ' ' B' ' 200' ' ' ACE . 1.0 OUTLIER -53.18 -48.86 67.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.671 -1.268 . . . . 0.0 111.527 -178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.412 ' N ' ' CD2' ' B' ' 204' ' ' PHE . 25.4 ptp -62.49 -32.87 73.84 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 120.535 -1.353 . . . . 0.0 109.4 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.501 ' HZ1' ' N ' ' A' ' 75' ' ' LYS . 64.8 tttp -63.03 -35.54 80.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.315 -0.866 . . . . 0.0 109.026 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.04 -15.39 28.71 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 17.7 mt -58.7 -44.24 90.25 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.665 -1.491 . . . . 0.0 109.517 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 74.3 m -63.2 -42.0 99.25 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.091 -1.005 . . . . 0.0 109.787 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -63.88 -40.13 95.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.121 -0.987 . . . . 0.0 110.329 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -84.69 -9.91 57.79 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.373 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -97.68 -106.14 0.18 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.25 -0.906 . . . . 0.0 109.866 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -65.88 -26.03 67.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.216 -0.927 . . . . 0.0 110.067 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.43 -39.55 97.44 Favored Glycine 0 N--CA 1.498 2.79 0 C-N-CA 119.557 -1.306 . . . . 0.0 110.142 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -56.14 -12.92 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.828 -1.396 . . . . 0.0 109.945 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' B' ' 220' ' ' NH2 . 55.5 t -62.12 -38.53 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.277 -0.889 . . . . 0.0 110.5 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -55.74 -21.93 21.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.071 -1.018 . . . . 0.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.98 87.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.613 -1.304 . . . . 0.0 109.176 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -142.63 -34.63 0.44 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.393 -0.817 . . . . 0.0 109.423 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . 0.521 ' N ' ' O ' ' B' ' 216' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.85 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -76.32 -9.83 58.94 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.206 -0.933 . . . . 0.0 109.237 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -127.66 145.4 50.9 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.584 -0.697 . . . . 0.0 109.211 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 tp -135.54 150.07 49.63 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -107.91 157.33 18.28 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-O 121.965 0.888 . . . . 0.0 111.305 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.25 -35.36 77.05 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.813 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -58.96 -42.15 89.18 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.123 -0.985 . . . . 0.0 109.582 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -61.64 -42.23 98.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.932 -1.105 . . . . 0.0 110.454 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.38 -44.65 99.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.686 -1.259 . . . . 0.0 109.812 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.98 -37.81 88.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.058 -1.026 . . . . 0.0 110.287 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.04 -43.44 98.83 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.828 -1.17 . . . . 0.0 110.822 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.07 -29.44 20.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.06 -44.83 95.83 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.082 -1.011 . . . . 0.0 109.297 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.39 -46.78 88.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.395 -0.816 . . . . 0.0 109.073 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.04 -33.61 70.48 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.448 -0.782 . . . . 0.0 110.261 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -58.05 -47.23 83.74 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.179 -0.951 . . . . 0.0 111.615 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.7 p -62.89 -21.41 65.99 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.839 -1.163 . . . . 0.0 111.102 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -39.79 84.53 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.717 -1.24 . . . . 0.0 109.573 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.42 -38.85 78.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.032 -1.043 . . . . 0.0 109.46 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 49.1 t0 -83.29 83.06 8.0 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.766 -1.209 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -63.92 -26.81 68.76 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.271 -0.893 . . . . 0.0 109.783 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.48 -25.26 68.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.113 -0.992 . . . . 0.0 109.823 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 13.48 78.51 Favored Glycine 0 N--CA 1.497 2.758 0 O-C-N 120.649 -1.282 . . . . 0.0 110.472 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -91.32 3.16 55.57 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.192 -1.181 . . . . 0.0 109.931 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.05 7.74 88.26 Favored Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.209 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.5 p -135.37 150.23 49.87 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.243 -1.151 . . . . 0.0 109.05 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -102.91 130.55 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.7 p -108.0 157.89 17.85 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.339 0.59 . . . . 0.0 109.726 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 p -54.77 -35.1 63.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.185 -0.947 . . . . 0.0 110.54 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -68.01 -39.4 83.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.048 -1.033 . . . . 0.0 109.908 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -65.86 -41.93 91.02 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.159 -0.963 . . . . 0.0 111.216 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD21 ' SD ' ' B' ' 205' ' ' MET . 0.4 OUTLIER -70.84 -56.77 5.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.085 -1.01 . . . . 0.0 110.24 -178.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.72 -41.91 99.19 Favored Glycine 0 N--CA 1.486 1.98 0 C-N-CA 119.248 -1.453 . . . . 0.0 110.027 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.581 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 90.9 m -59.21 -46.28 88.86 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.666 -1.491 . . . . 0.0 109.265 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.47 -38.73 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 120.691 -1.256 . . . . 0.0 109.604 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.95 -37.75 86.82 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 120.633 -1.292 . . . . 0.0 109.324 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' NH2' ' N ' ' A' ' 34' ' ' THR . 78.1 mtm-85 -58.45 -34.11 70.47 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.215 -0.928 . . . . 0.0 109.351 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.597 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.5 m -55.18 -34.02 63.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 108.507 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 23.25 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.597 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.51 51.46 51.94 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -126.6 157.67 38.3 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.502 -0.999 . . . . 0.0 109.989 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -141.09 75.15 24.24 Favored Pre-proline 0 C--N 1.298 -1.633 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.51 162.63 27.54 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.942 2.428 . . . . 0.0 112.802 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.0 p -105.24 162.13 13.68 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.855 0.836 . . . . 0.0 109.732 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.16 94.03 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.685 -0.635 . . . . 0.0 110.349 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.54 94.95 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 110.116 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.68 -46.45 85.51 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.832 -1.167 . . . . 0.0 110.127 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.34 -37.55 83.44 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.286 -0.884 . . . . 0.0 110.297 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -59.77 -45.4 92.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.937 -1.102 . . . . 0.0 109.298 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.85 -44.21 94.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 110.236 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.34 -58.59 7.96 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.942 -1.099 . . . . 0.0 110.717 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.87 -37.31 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.237 -0.914 . . . . 0.0 110.22 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.9 -37.64 74.38 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.334 -0.854 . . . . 0.0 110.728 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.89 -20.51 63.82 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 111.708 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -128.01 24.43 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.307 0 O-C-N 121.038 -1.039 . . . . 0.0 111.23 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.6 t0 -90.07 99.85 12.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.767 -1.208 . . . . 0.0 108.916 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.21 -23.89 17.71 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.26 -0.9 . . . . 0.0 110.509 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 32.0 p30 -92.93 -7.54 45.76 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.04 -1.038 . . . . 0.0 109.186 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.7 26.0 68.05 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.9 0.38 54.71 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.342 -1.093 . . . . 0.0 109.781 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.84 20.91 74.81 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.466 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 69.6 p -141.78 160.97 39.1 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.218 -1.166 . . . . 0.0 108.021 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.9 mt -100.33 122.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 C-N-CA 119.883 -0.727 . . . . 0.0 109.296 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 67.5 m-20 -94.16 159.29 15.21 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.446 -0.902 . . . . 0.0 109.002 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -49.65 -45.34 78.78 Favored Pre-proline 0 C--N 1.304 -1.397 0 O-C-N 121.141 -0.975 . . . . 0.0 111.496 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.58 -38.91 47.9 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 CA-C-N 120.894 1.355 . . . . 0.0 110.976 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.65 -44.74 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -62.06 -45.68 92.44 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.627 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.65 -39.61 84.96 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 122.093 0.949 . . . . 0.0 109.366 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -63.85 -42.69 97.51 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.407 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.533 ' SD ' ' NZ ' ' B' ' 206' ' ' LYS . 21.7 ttp -61.83 -41.36 97.7 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.1 mmm -60.9 -41.05 95.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.411 -0.806 . . . . 0.0 110.809 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.75 -23.89 59.8 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.834 -1.166 . . . . 0.0 108.391 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -51.67 -18.61 1.24 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 121.478 -0.764 . . . . 0.0 109.343 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.4 -45.31 88.6 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.481 ' N ' ' SD ' ' A' ' 76' ' ' MET . 1.9 mpt? -62.4 -42.14 99.2 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.389 -0.82 . . . . 0.0 109.619 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -63.58 -40.82 97.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.923 -1.111 . . . . 0.0 109.824 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.6 t0 60.21 56.18 3.37 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.656 -0.653 . . . . 0.0 109.565 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.26 -73.01 0.6 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.218 -0.926 . . . . 0.0 109.652 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -83.11 -15.81 49.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.953 -1.092 . . . . 0.0 108.621 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -49.12 -31.99 9.12 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.49 -43.73 98.35 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.998 -1.064 . . . . 0.0 109.049 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -66.21 -41.4 90.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.502 -0.749 . . . . 0.0 109.893 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.653 ' OE1' HG23 ' B' ' 203' ' ' VAL . 77.5 mm-40 -70.16 -36.14 74.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.259 -0.901 . . . . 0.0 110.052 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 mt -61.27 -40.5 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.485 -0.759 . . . . 0.0 109.313 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -66.07 -37.78 86.65 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.809 -1.182 . . . . 0.0 109.817 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.96 -39.39 94.03 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.769 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.49 41.16 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.142 -0.973 . . . . 0.0 108.993 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -55.3 -40.3 70.92 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -63.97 -39.24 93.69 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.416 -0.802 . . . . 0.0 110.432 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.88 -40.0 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.162 -0.961 . . . . 0.0 110.044 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -71.21 -42.1 69.39 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.185 -0.947 . . . . 0.0 110.549 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -89.14 85.89 6.76 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.82 -1.175 . . . . 0.0 109.85 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.514 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 63.7 pttt -73.53 -22.4 60.12 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.266 -0.896 . . . . 0.0 110.388 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.4 -29.08 67.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.19 -0.944 . . . . 0.0 110.532 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.58 5.0 88.06 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 41.1 p-10 -69.62 -9.75 55.43 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.034 -1.274 . . . . 0.0 109.316 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 4.43 79.73 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 108.627 -1.789 . . . . 0.0 108.627 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.3 m-85 -138.5 144.74 40.13 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.03 123.77 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 120.794 -1.191 . . . . 0.0 108.827 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.9 p -97.39 167.01 11.26 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.332 -0.855 . . . . 0.0 110.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.63 -39.88 95.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.612 -0.68 . . . . 0.0 111.642 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.56 84.79 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.396 -1.44 . . . . 0.0 109.629 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -61.42 -42.27 98.48 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.153 -0.967 . . . . 0.0 111.948 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.31 -34.31 77.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.882 -1.136 . . . . 0.0 110.782 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -66.81 -34.27 77.44 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.032 -1.043 . . . . 0.0 110.676 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.514 ' CD2' ' NZ ' ' A' ' 94' ' ' LYS . 6.9 t60 -65.8 -58.54 5.4 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.304 -0.872 . . . . 0.0 112.914 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.41 -44.57 96.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.231 -0.918 . . . . 0.0 110.234 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 109' ' ' MET . 4.5 ppp? -65.23 -23.83 67.17 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.55 -1.343 . . . . 0.0 110.44 179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.565 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 94.2 m -70.56 -40.65 73.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.658 -1.276 . . . . 0.0 110.084 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -66.9 -20.5 65.92 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.374 -0.829 . . . . 0.0 110.443 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -91.29 7.85 38.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.987 -1.071 . . . . 0.0 109.887 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.83 15.39 79.35 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.185 -1.007 . . . . 0.0 110.778 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -95.4 135.43 37.04 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.114 -1.227 . . . . 0.0 109.343 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.565 ' NZ ' HG23 ' A' ' 110' ' ' THR . 22.3 mmtm -132.21 101.33 5.34 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.607 -0.683 . . . . 0.0 110.233 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' B' ' 218' ' ' ALA . 3.1 mp -107.05 173.59 6.26 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.9 p -101.02 163.97 12.03 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.3 -0.875 . . . . 0.0 108.77 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.61 -38.67 81.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.088 -1.008 . . . . 0.0 109.649 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.03 -41.12 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.122 -0.986 . . . . 0.0 109.175 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -62.5 -43.12 99.59 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.249 -0.907 . . . . 0.0 109.419 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.2 t -73.63 -36.12 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -61.27 -45.35 94.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.091 -1.006 . . . . 0.0 110.177 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.46 -38.59 91.74 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.041 -1.037 . . . . 0.0 110.342 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.4 mtt -61.07 -39.56 90.34 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.205 -0.934 . . . . 0.0 110.327 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.89 -42.58 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 108.971 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.56 -45.22 94.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.932 -1.105 . . . . 0.0 110.625 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.29 -39.3 92.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.154 -0.966 . . . . 0.0 111.589 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -85.95 -5.96 59.14 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.787 -1.196 . . . . 0.0 110.82 -178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -81.63 88.97 6.2 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.847 -1.158 . . . . 0.0 110.136 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.93 -44.69 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.342 -0.849 . . . . 0.0 111.44 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 56.3 p-10 -77.79 -24.28 48.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.928 -1.107 . . . . 0.0 109.015 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.552 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.28 22.9 58.08 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -77.43 -10.54 59.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.362 -1.081 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.81 -11.2 69.6 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.8 mp0 -130.91 166.22 21.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.309 -1.112 . . . . 0.0 108.47 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -101.82 124.48 55.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.601 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.54 -179.29 3.83 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.964 0.887 . . . . 0.0 110.436 -178.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.605 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.6 m-85 -59.08 -39.3 81.7 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -60.49 -50.45 73.52 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.394 -0.816 . . . . 0.0 109.63 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -68.56 -40.64 80.52 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.969 -1.082 . . . . 0.0 109.631 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -62.89 -46.93 85.55 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.772 -0.58 . . . . 0.0 110.899 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.8 t -69.97 -42.27 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 119.942 -1.724 . . . . 0.0 107.674 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -62.19 -39.8 93.9 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.539 -0.726 . . . . 0.0 110.77 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 26.6 ttp -63.1 -37.6 87.87 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.181 -0.95 . . . . 0.0 110.832 -178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.3 mmm -84.19 -12.5 54.76 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.203 -0.935 . . . . 0.0 111.839 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.27 56.39 1.35 Allowed 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.94 -1.1 . . . . 0.0 108.901 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.8 141.54 37.88 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.376 -0.828 . . . . 0.0 109.608 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.308 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.743 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 16.4 mmt -99.76 16.21 24.36 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.541 -0.724 . . . . 0.0 109.868 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 42.8 p-10 -56.33 -34.17 66.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.969 -1.082 . . . . 0.0 109.067 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.653 HG23 ' OE1' ' A' ' 84' ' ' GLU . 4.2 p -72.8 -6.43 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.461 -0.775 . . . . 0.0 110.453 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -54.5 -48.32 72.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.321 -1.487 . . . . 0.0 110.644 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.468 ' SD ' HD21 ' A' ' 32' ' ' LEU . 99.0 mtp -62.03 -46.07 90.79 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 120.612 -1.305 . . . . 0.0 109.747 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.533 ' NZ ' ' SD ' ' A' ' 71' ' ' MET . 37.6 mmtm -67.4 -39.81 85.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.044 -1.035 . . . . 0.0 109.364 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -62.37 -39.56 97.92 Favored Glycine 0 N--CA 1.485 1.961 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.725 ' C ' HD12 ' B' ' 208' ' ' LEU . 0.3 OUTLIER -42.9 -35.95 1.36 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.425 -1.044 . . . . 0.0 108.716 -179.295 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 94.9 p -68.19 -37.71 81.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.29 -0.881 . . . . 0.0 109.86 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' B' ' 207' ' ' GLY . 73.9 mmtt -101.57 -3.36 28.58 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.822 . . . . 0.0 110.211 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -89.63 -10.52 45.61 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.976 -1.078 . . . . 0.0 109.942 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -135.46 118.81 16.73 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.393 -0.817 . . . . 0.0 109.966 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.513 ' O ' HG23 ' B' ' 216' ' ' VAL . 46.3 tp10 -173.16 -93.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -61.15 -39.87 97.75 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.222 -1.551 . . . . 0.0 109.222 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -5.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.903 -1.351 . . . . 0.0 109.689 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 213' ' ' GLU . 46.6 t -61.17 -38.26 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.306 -0.871 . . . . 0.0 110.682 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.22 82.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.922 -1.111 . . . . 0.0 111.236 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 116' ' ' LEU . . . -61.09 -40.16 92.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.479 -1.388 . . . . 0.0 109.382 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -143.2 124.97 15.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.385 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.781 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -85.3 0.01 53.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -0.902 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -62.85 -42.11 99.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.313 -0.867 . . . . 0.0 109.324 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 4' ' ' LEU . 9.3 tp -73.79 144.33 45.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.202 -0.936 . . . . 0.0 108.873 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -109.22 157.13 19.1 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.595 0.712 . . . . 0.0 110.497 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 3.7 pm0 -65.38 -29.45 70.17 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.53 -0.731 . . . . 0.0 110.415 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.66 -37.75 76.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.124 -0.985 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -61.68 -40.3 94.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.14 -0.975 . . . . 0.0 110.105 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.03 -40.06 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 120.818 -1.176 . . . . 0.0 109.49 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.74 79.1 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.94 -1.1 . . . . 0.0 109.593 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.96 -44.11 97.44 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.979 -1.076 . . . . 0.0 110.705 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.3 -21.08 25.96 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.845 -1.16 . . . . 0.0 109.857 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.47 -43.47 97.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.797 -1.19 . . . . 0.0 109.047 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -60.52 -45.8 92.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.071 -1.018 . . . . 0.0 108.879 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.49 84.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.138 -0.976 . . . . 0.0 109.27 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -57.32 -45.22 84.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.251 -0.906 . . . . 0.0 110.869 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.88 -22.73 66.92 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.975 -1.078 . . . . 0.0 111.705 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -43.02 83.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.361 -1.462 . . . . 0.0 110.056 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -69.64 -38.07 77.01 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.003 . . . . 0.0 109.097 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 52.3 t0 -83.83 81.04 8.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.823 -1.173 . . . . 0.0 109.718 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.03 -22.12 66.42 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.209 -0.932 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.12 -30.69 71.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.398 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.2 4.26 88.82 Favored Glycine 0 N--CA 1.496 2.664 0 O-C-N 120.362 -1.462 . . . . 0.0 110.096 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -87.86 3.07 49.77 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -1.125 . . . . 0.0 109.852 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 11.57 85.08 Favored Glycine 0 N--CA 1.489 2.221 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.478 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 64.9 p -137.36 149.84 47.28 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.229 -1.16 . . . . 0.0 108.914 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 130.48 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 121.789 0.804 . . . . 0.0 108.926 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.4 p -109.31 159.08 17.26 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -56.82 -35.03 68.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.24 -0.913 . . . . 0.0 110.145 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.81 -42.22 95.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.92 . . . . 0.0 109.846 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 42.4 mt-10 -64.98 -43.81 91.41 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.404 -0.81 . . . . 0.0 111.159 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -50.91 27.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.142 -0.974 . . . . 0.0 109.549 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.37 -40.24 97.27 Favored Glycine 0 N--CA 1.485 1.936 0 C-N-CA 119.234 -1.46 . . . . 0.0 110.126 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.1 m -59.8 -46.63 88.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.835 -1.391 . . . . 0.0 109.713 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -74.89 -32.33 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.848 -1.158 . . . . 0.0 108.653 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 ttt -60.75 -33.54 73.08 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 120.935 -1.103 . . . . 0.0 109.453 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -59.71 -30.23 68.66 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -58.34 -37.41 75.09 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.92 13.48 0.15 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 0.0 108.903 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 62.74 41.57 99.82 Favored Glycine 0 N--CA 1.487 2.066 0 C-N-CA 120.222 -0.99 . . . . 0.0 110.862 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -114.99 160.8 19.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.472 -1.017 . . . . 0.0 109.577 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.7 p30 -141.5 68.64 25.8 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.706 -0.621 . . . . 0.0 109.477 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -77.28 166.09 26.77 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 123.099 2.533 . . . . 0.0 112.666 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -102.78 160.83 14.24 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.772 0.796 . . . . 0.0 109.797 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.79 -42.83 98.36 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.76 -0.588 . . . . 0.0 110.7 -178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.06 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.835 -1.166 . . . . 0.0 110.127 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.78 -44.23 94.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.83 -1.169 . . . . 0.0 110.256 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.17 -37.66 84.1 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.317 -0.865 . . . . 0.0 109.487 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.78 HE22 HD21 ' A' ' 53' ' ' ASN . 18.0 tm0? -60.6 -40.25 91.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.224 -0.923 . . . . 0.0 108.511 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -62.17 -43.55 98.59 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.457 -0.777 . . . . 0.0 109.84 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.505 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 14.1 mtt -60.1 -51.08 71.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.895 -1.128 . . . . 0.0 110.319 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' CG1' ' H1 ' ' B' ' 200' ' ' ACE . 1.2 mt -64.24 -34.67 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.985 -1.072 . . . . 0.0 109.625 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.78 HD21 HE22 ' A' ' 49' ' ' GLN . 21.1 m-20 -55.87 -26.08 45.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.937 -1.102 . . . . 0.0 110.214 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.93 -26.52 68.24 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.224 -0.922 . . . . 0.0 110.959 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 55' ' ' VAL . 12.9 p -135.66 37.26 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 O-C-N 121.002 -1.061 . . . . 0.0 111.547 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -94.8 104.22 16.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.71 -1.244 . . . . 0.0 109.196 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.87 -24.44 17.73 Favored 'General case' 0 N--CA 1.505 2.282 0 O-C-N 121.048 -1.032 . . . . 0.0 110.525 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.0 p30 -92.43 -10.01 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 120.974 -1.079 . . . . 0.0 109.214 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.77 25.66 69.28 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.537 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -96.5 2.83 52.84 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.379 -1.071 . . . . 0.0 110.598 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.63 21.34 74.67 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.164 -1.175 . . . . 0.0 110.164 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.486 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.3 p -141.01 161.48 37.75 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.81 122.66 59.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -89.2 153.15 21.16 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.879 -1.129 . . . . 0.0 108.021 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -47.09 -46.53 54.92 Favored Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 121.034 -1.041 . . . . 0.0 111.597 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.2 -36.99 77.63 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 CA-C-N 121.151 1.447 . . . . 0.0 111.045 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -62.18 -43.37 98.98 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 32.4 t80 -60.98 -44.73 96.94 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.662 0.744 . . . . 0.0 110.379 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.23 -41.68 93.63 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.779 0.799 . . . . 0.0 110.037 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.3 m -61.07 -42.59 98.78 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.3 ttp -63.67 -37.12 86.15 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 119.831 -0.747 . . . . 0.0 109.23 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CZ ' ' A' ' 68' ' ' PHE . 2.4 mtp -59.97 -43.48 95.07 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.038 -1.038 . . . . 0.0 109.855 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' ' SD ' ' A' ' 76' ' ' MET . . . -78.23 -22.74 47.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.777 -1.202 . . . . 0.0 108.837 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 63.5 ttm-85 -59.67 -21.84 61.11 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.599 -0.688 . . . . 0.0 110.463 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' HG3' ' HZ3' ' B' ' 206' ' ' LYS . 87.6 tttt -55.6 -42.86 75.44 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.092 -1.005 . . . . 0.0 108.362 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 73' ' ' ALA . 2.0 mpt? -60.77 -38.51 85.5 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.82 -22.43 62.34 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.149 -0.97 . . . . 0.0 109.392 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 82' ' ' GLU . 13.4 t70 58.35 55.13 5.17 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.321 -0.862 . . . . 0.0 109.889 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.431 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -91.97 -65.1 1.03 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.0 -1.063 . . . . 0.0 109.768 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -83.04 -12.24 57.37 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.976 -1.077 . . . . 0.0 108.162 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -48.8 -37.58 19.59 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 78' ' ' ASP . 58.3 mp0 -61.28 -41.47 97.0 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.025 -1.047 . . . . 0.0 109.214 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.19 -45.71 87.14 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.127 -0.983 . . . . 0.0 109.784 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' B' ' 207' ' ' GLY . 40.7 tt0 -67.56 -39.83 84.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.191 -0.943 . . . . 0.0 110.556 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.2 -46.18 97.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.6 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -67.71 -39.0 84.39 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.581 -1.325 . . . . 0.0 110.018 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -68.03 -38.99 83.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.949 -1.095 . . . . 0.0 110.115 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.16 62.39 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.237 -0.914 . . . . 0.0 110.079 -178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.1 t80 -57.36 -40.59 78.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.047 -1.033 . . . . 0.0 108.913 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.88 -39.48 94.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.555 -0.715 . . . . 0.0 110.179 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -72.36 -40.0 63.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.305 -0.872 . . . . 0.0 109.681 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -73.2 -42.76 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.141 -0.974 . . . . 0.0 110.43 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -88.61 86.09 6.94 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.861 -1.149 . . . . 0.0 110.328 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -76.82 -23.09 52.79 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.058 -1.026 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 96.4 m-20 -68.54 -29.67 68.3 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.952 -1.093 . . . . 0.0 110.536 -178.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.41 5.6 87.78 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 27.1 p-10 -69.55 -8.24 45.5 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.055 -1.262 . . . . 0.0 109.786 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.59 -2.18 86.04 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 108.592 -1.803 . . . . 0.0 108.592 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.8 m-85 -132.86 140.84 48.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.3 mt -94.14 130.91 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 120.961 -1.087 . . . . 0.0 109.924 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 p -107.3 165.97 10.99 Favored 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 121.982 0.896 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.0 90.49 Favored 'General case' 0 N--CA 1.501 2.084 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.876 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.09 84.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.309 -1.494 . . . . 0.0 108.539 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.4 mt-10 -61.69 -40.04 93.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.269 -0.895 . . . . 0.0 109.717 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.475 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -67.18 -41.02 86.62 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 111.704 -178.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -63.02 -37.03 85.58 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 120.314 -1.491 . . . . 0.0 110.171 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -63.3 -61.92 2.03 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.227 -0.921 . . . . 0.0 112.351 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.68 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.327 -0.858 . . . . 0.0 110.071 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.475 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.7 mtp -63.54 -39.43 94.4 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.848 -1.157 . . . . 0.0 110.405 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.3 m -62.94 -44.04 97.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.214 -0.928 . . . . 0.0 110.253 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -64.66 -36.49 84.42 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.873 . . . . 0.0 111.613 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -103.19 -3.97 25.04 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.208 -0.932 . . . . 0.0 111.029 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -145.01 -94.74 0.18 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -174.03 160.55 3.5 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.465 -1.609 . . . . 0.0 108.432 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.15 133.76 51.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.934 -1.104 . . . . 0.0 109.33 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -109.97 -172.19 1.99 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.9 p -101.92 159.52 15.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.967 -1.083 . . . . 0.0 109.137 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -57.58 -40.3 78.69 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.201 -0.937 . . . . 0.0 109.909 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.99 -42.45 94.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.041 -1.037 . . . . 0.0 109.663 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -61.43 -45.23 95.19 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.201 -0.937 . . . . 0.0 110.101 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -76.75 -32.83 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.543 -0.723 . . . . 0.0 109.136 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.58 -43.0 97.84 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.067 -1.021 . . . . 0.0 109.491 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.56 -39.0 92.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.853 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.3 ttt -58.79 -40.11 83.08 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.027 -1.046 . . . . 0.0 109.239 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.81 -43.19 97.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.382 -0.823 . . . . 0.0 109.7 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -59.5 -45.81 90.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.917 -1.114 . . . . 0.0 111.283 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.16 -38.99 93.05 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.99 -1.069 . . . . 0.0 111.316 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 0.21 57.37 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.889 -1.132 . . . . 0.0 110.89 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -81.3 83.57 6.84 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.752 -1.217 . . . . 0.0 110.534 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.07 -43.96 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.131 -0.981 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.8 p30 -76.2 -25.43 55.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.04 -1.038 . . . . 0.0 109.044 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.77 20.46 63.54 Favored Glycine 0 N--CA 1.481 1.638 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 48.9 p-10 -81.11 -4.21 54.55 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.361 -1.082 . . . . 0.0 110.103 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.78 -0.14 83.06 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -138.15 159.14 42.82 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.189 -1.183 . . . . 0.0 108.5 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.8 t -98.54 121.92 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.599 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.57 -178.62 3.7 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.716 0.769 . . . . 0.0 109.922 -178.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 9.1 m-85 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -60.64 -50.79 72.09 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.442 -0.787 . . . . 0.0 109.852 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.031 -1.043 . . . . 0.0 109.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.61 -47.43 81.42 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.689 -0.632 . . . . 0.0 110.792 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.418 ' O ' ' OG1' ' A' ' 146' ' ' THR . 94.1 t -71.01 -43.43 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 119.992 -1.692 . . . . 0.0 108.052 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -62.88 -40.17 96.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.374 -0.828 . . . . 0.0 110.442 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 ttt -61.12 -48.17 82.87 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.099 -1.001 . . . . 0.0 109.962 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.2 mtp -73.25 -39.1 65.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.338 -0.851 . . . . 0.0 112.198 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -72.24 55.56 0.32 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.568 -1.333 . . . . 0.0 109.945 -178.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.62 138.58 42.54 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.211 -0.931 . . . . 0.0 109.405 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.047 -179.767 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.505 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.213 -0.824 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.25 39.72 0.84 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.255 -0.903 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 51.3 p-10 -64.06 -32.79 74.47 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.633 -1.292 . . . . 0.0 109.723 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.541 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 9.1 p -70.97 -32.43 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.816 -1.178 . . . . 0.0 110.088 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.465 ' CD2' ' N ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -55.5 -48.8 74.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.545 -1.347 . . . . 0.0 111.051 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.465 ' N ' ' CD2' ' B' ' 204' ' ' PHE . 23.5 ptp -65.17 -20.09 66.28 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.544 -1.348 . . . . 0.0 110.061 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.514 ' HZ3' ' HG3' ' A' ' 75' ' ' LYS . 65.5 tttm -62.07 -43.33 99.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.006 -1.058 . . . . 0.0 110.173 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.544 ' N ' ' OE2' ' A' ' 84' ' ' GLU . . . -60.38 -40.09 97.09 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.69 ' C ' HD12 ' B' ' 208' ' ' LEU . 0.3 OUTLIER -45.61 -34.32 3.34 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.301 -1.117 . . . . 0.0 108.828 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.1 m -63.15 -42.72 99.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.067 -1.02 . . . . 0.0 109.265 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.58 -40.45 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.552 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -77.31 -17.51 58.26 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.301 -0.875 . . . . 0.0 109.675 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' B' ' 213' ' ' GLU . 88.0 tttt -104.23 124.54 49.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.482 -0.761 . . . . 0.0 109.359 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' B' ' 212' ' ' LYS . 4.3 tm-20 71.7 -52.32 0.69 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.441 -0.787 . . . . 0.0 109.398 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.99 -39.63 97.32 Favored Glycine 0 N--CA 1.502 3.062 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.96 -13.32 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 120.819 -1.401 . . . . 0.0 109.786 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.97 -38.81 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.185 -0.947 . . . . 0.0 109.787 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -51.52 -17.28 0.77 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.932 . . . . 0.0 109.999 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.05 88.28 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.933 -1.104 . . . . 0.0 109.328 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -175.68 109.09 0.1 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.219 -0.926 . . . . 0.0 109.448 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.891 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -85.54 75.04 10.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.163 -0.96 . . . . 0.0 109.419 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -96.18 -1.03 49.19 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.483 -0.761 . . . . 0.0 109.435 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.2 tp -136.81 150.13 48.15 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -108.12 156.75 18.95 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 121.615 0.722 . . . . 0.0 110.852 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -63.66 -20.12 65.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.662 -0.649 . . . . 0.0 110.249 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.02 -39.42 83.14 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.809 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -66.21 -39.62 89.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.313 -0.867 . . . . 0.0 110.514 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mt -62.02 -44.48 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 120.519 -1.363 . . . . 0.0 108.802 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.0 89.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.105 -0.997 . . . . 0.0 109.983 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.05 -43.44 98.82 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.836 -1.165 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -87.5 -28.12 22.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.869 -1.144 . . . . 0.0 110.857 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.76 -44.26 96.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.986 -1.071 . . . . 0.0 109.224 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.83 -46.95 87.65 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.297 -0.877 . . . . 0.0 108.855 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.13 73.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.382 -0.824 . . . . 0.0 110.032 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 82.1 t80 -59.09 -47.63 84.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.066 -1.021 . . . . 0.0 111.792 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.6 p -62.05 -22.37 65.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.835 -1.166 . . . . 0.0 111.089 -177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.89 -39.55 90.74 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.794 -1.191 . . . . 0.0 109.756 -179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.35 -38.76 78.28 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.99 -1.069 . . . . 0.0 109.963 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -82.69 83.49 7.64 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.672 -1.267 . . . . 0.0 109.83 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -62.59 -29.35 70.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.28 -0.887 . . . . 0.0 109.881 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.41 -26.77 68.89 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.238 -0.914 . . . . 0.0 110.031 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.02 14.65 78.71 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 120.507 -1.371 . . . . 0.0 110.532 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -92.32 5.1 51.84 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.121 -1.223 . . . . 0.0 109.963 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.78 7.98 88.06 Favored Glycine 0 N--CA 1.49 2.268 0 C-N-CA 119.922 -1.132 . . . . 0.0 110.384 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 76.3 p -135.87 151.36 49.94 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.26 -1.141 . . . . 0.0 109.16 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.2 mt -105.49 130.53 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -107.71 158.5 17.22 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.373 0.606 . . . . 0.0 109.913 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.9 p -55.47 -36.47 66.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.225 -0.922 . . . . 0.0 110.455 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -65.66 -41.72 92.21 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.128 -0.982 . . . . 0.0 109.939 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.55 -41.85 92.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.293 -0.88 . . . . 0.0 111.474 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -56.44 6.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.057 -1.027 . . . . 0.0 110.268 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.77 -41.6 99.15 Favored Glycine 0 N--CA 1.485 1.937 0 C-N-CA 119.444 -1.36 . . . . 0.0 110.174 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.5 m -59.95 -46.89 87.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.017 -1.284 . . . . 0.0 109.464 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 p -76.08 -38.88 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.667 -1.271 . . . . 0.0 109.231 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 ttp -66.32 -33.52 75.93 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.951 -1.093 . . . . 0.0 108.874 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -58.17 -36.36 72.92 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.36 -0.838 . . . . 0.0 109.349 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.596 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.6 m -56.07 -34.21 65.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.224 -0.922 . . . . 0.0 108.575 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -69.39 20.28 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.62 55.05 22.28 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -126.11 152.51 45.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.446 -1.032 . . . . 0.0 109.749 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -140.61 66.04 27.14 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.45 162.87 30.33 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 123.039 2.492 . . . . 0.0 112.395 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -99.72 160.8 14.03 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.399 -0.813 . . . . 0.0 109.773 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 50.0 mp0 -60.74 -43.25 98.17 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.672 -0.642 . . . . 0.0 110.373 -178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.15 93.54 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.104 -0.997 . . . . 0.0 110.033 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.34 -45.29 91.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.778 -1.201 . . . . 0.0 110.001 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.39 -38.16 86.89 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.249 -0.907 . . . . 0.0 110.38 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.669 HE22 ' ND2' ' A' ' 53' ' ' ASN . 14.2 tm0? -60.24 -40.36 89.99 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.025 -1.047 . . . . 0.0 108.461 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -61.96 -47.24 85.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.476 -0.765 . . . . 0.0 110.311 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.11 -56.83 15.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.974 -1.079 . . . . 0.0 110.434 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.55 -35.79 69.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 121.568 -0.708 . . . . 0.0 110.044 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.669 ' ND2' HE22 ' A' ' 49' ' ' GLN . 6.6 m-20 -59.11 -26.13 64.42 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.124 -0.985 . . . . 0.0 110.301 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -63.76 -24.88 67.94 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.135 -0.978 . . . . 0.0 111.26 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 55' ' ' VAL . 14.4 p -135.52 32.74 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.21 0 O-C-N 120.959 -1.088 . . . . 0.0 111.565 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.0 t0 -91.13 102.4 15.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.611 -1.305 . . . . 0.0 108.968 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.71 -23.8 18.09 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.08 -1.012 . . . . 0.0 110.316 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.536 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 29.8 p30 -92.61 -6.84 48.59 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.96 -1.088 . . . . 0.0 109.054 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.4 26.61 64.45 Favored Glycine 0 N--CA 1.488 2.114 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.536 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.8 p-10 -96.09 2.51 53.3 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.317 -1.108 . . . . 0.0 110.449 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.41 19.86 74.81 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.489 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 70.5 p -140.45 160.9 38.98 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.176 -1.19 . . . . 0.0 107.81 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.6 mt -103.89 122.24 56.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.46 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -91.21 155.67 18.41 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.184 -1.006 . . . . 0.0 109.084 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.435 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 27.4 t80 -46.83 -52.9 29.47 Favored Pre-proline 0 C--N 1.302 -1.487 0 O-C-N 121.289 -0.882 . . . . 0.0 111.707 -178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 16.8 Cg_endo -57.39 -35.95 98.85 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 CA-C-N 120.696 1.284 . . . . 0.0 111.382 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.15 -44.55 91.79 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.414 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 51.6 t80 -62.1 -46.93 86.9 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.074 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.9 tp -59.09 -39.79 83.28 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.942 0.877 . . . . 0.0 109.738 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 98.2 m -64.39 -43.51 94.23 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.193 0.52 . . . . 0.0 109.801 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ttp -62.4 -42.66 99.6 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.165 -0.959 . . . . 0.0 109.342 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.88 -41.7 96.48 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.52 -0.738 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -29.16 52.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.764 -1.21 . . . . 0.0 109.153 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' ASP . 41.9 ttm180 -62.87 -43.18 99.49 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.449 -0.782 . . . . 0.0 110.403 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' NZ ' ' H ' ' B' ' 210' ' ' LYS . 87.8 tttt -59.3 -45.97 89.85 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 108.903 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmm -64.5 -36.51 84.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.167 -0.958 . . . . 0.0 109.786 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.35 10.42 40.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.783 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 74' ' ' ARG . 22.2 t0 -156.63 179.95 8.77 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.011 -1.056 . . . . 0.0 109.361 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 p -141.9 47.2 1.64 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.587 -0.696 . . . . 0.0 109.645 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -69.26 -8.9 50.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.6 p -77.64 3.92 12.67 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -56.54 -46.58 80.59 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.467 -0.771 . . . . 0.0 109.514 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.4 -39.65 91.47 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.3 -0.96 . . . . 0.0 108.639 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 55.6 mp0 -70.43 -28.11 64.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.662 -0.649 . . . . 0.0 109.961 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -61.1 -42.76 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -66.3 -36.7 83.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.773 -1.205 . . . . 0.0 110.008 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.772 ' OE2' ' H1 ' ' B' ' 200' ' ' ACE . 88.1 tt0 -62.53 -39.69 94.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.0 110.321 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.44 -27.95 40.77 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.049 -1.032 . . . . 0.0 109.639 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 30.8 t80 -56.77 -39.86 74.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.382 -0.824 . . . . 0.0 109.225 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HE ' ' C ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -65.48 -37.91 88.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.443 -0.786 . . . . 0.0 110.075 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.82 -41.37 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.155 -0.966 . . . . 0.0 109.758 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.99 -39.57 69.18 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 110.017 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -82.5 81.43 8.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.986 -1.071 . . . . 0.0 110.666 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -63.69 -43.24 97.24 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.313 -0.867 . . . . 0.0 111.531 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 56.5 p30 -68.68 -26.31 65.23 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.793 -1.192 . . . . 0.0 111.056 -177.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.34 15.21 81.64 Favored Glycine 0 N--CA 1.487 2.059 0 C-N-CA 119.501 -1.333 . . . . 0.0 109.978 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.1 p-10 -69.15 -5.75 24.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.854 -1.38 . . . . 0.0 108.47 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.65 3.58 80.66 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.479 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 45.3 m-85 -138.78 143.89 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -95.54 128.79 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.745 -1.222 . . . . 0.0 109.577 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.2 p -106.06 165.64 11.07 Favored 'General case' 0 N--CA 1.491 1.616 0 CA-C-O 121.988 0.899 . . . . 0.0 110.746 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.55 92.17 Favored 'General case' 0 N--CA 1.501 2.083 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.838 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.2 86.28 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.378 -1.451 . . . . 0.0 108.497 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.58 -41.05 96.85 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.107 -0.996 . . . . 0.0 109.88 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.16 -40.3 90.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.268 -0.895 . . . . 0.0 110.263 -179.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.09 -39.5 92.66 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 120.618 -1.301 . . . . 0.0 110.102 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -64.26 -60.76 2.81 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.297 -0.877 . . . . 0.0 112.535 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.34 -40.99 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.173 -0.954 . . . . 0.0 109.623 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.3 mtp -63.32 -38.29 90.59 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.898 -1.127 . . . . 0.0 110.17 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.8 m -66.09 -40.73 91.02 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.209 -0.932 . . . . 0.0 111.338 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -64.45 -22.27 66.91 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.106 -0.996 . . . . 0.0 111.553 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.5 mt -89.11 9.4 25.6 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.797 -1.19 . . . . 0.0 110.18 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.31 11.08 83.84 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.694 -1.363 . . . . 0.0 109.694 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -106.79 137.38 44.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.614 -0.933 . . . . 0.0 109.035 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -143.63 122.13 12.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.422 -0.799 . . . . 0.0 109.477 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' B' ' 218' ' ' ALA . 4.7 mp -115.26 -179.27 3.59 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.2 p -101.16 164.3 11.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 108.939 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -59.39 -39.23 82.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.255 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -62.08 -40.08 94.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.03 -1.044 . . . . 0.0 109.344 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.93 -43.16 93.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.615 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.3 t -72.42 -35.09 50.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.36 -41.52 89.48 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.087 -1.008 . . . . 0.0 109.251 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.34 -39.04 91.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.136 -0.977 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.005 -1.059 . . . . 0.0 109.564 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.47 -44.56 98.87 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 C-N-CA 119.223 -0.991 . . . . 0.0 108.721 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -60.74 -45.42 94.35 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.123 -0.985 . . . . 0.0 110.903 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.53 -38.6 87.53 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.963 -1.086 . . . . 0.0 111.391 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.73 0.88 56.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.804 -1.185 . . . . 0.0 110.853 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -82.27 83.89 7.28 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.655 -1.278 . . . . 0.0 111.108 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.13 -44.07 13.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.19 -0.943 . . . . 0.0 110.848 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.6 p-10 -76.45 -25.75 54.7 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.15 -0.969 . . . . 0.0 109.085 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.51 20.71 63.55 Favored Glycine 0 N--CA 1.481 1.651 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.451 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.1 p-10 -79.98 -7.6 58.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.333 -1.098 . . . . 0.0 110.285 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 86.42 -7.04 80.57 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.848 -1.168 . . . . 0.0 110.21 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.5 mp0 -131.4 170.4 14.72 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.269 -1.136 . . . . 0.0 108.591 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 47.9 t -104.92 125.07 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.595 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 -179.06 3.77 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.912 0.863 . . . . 0.0 110.464 -178.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.4 m-85 -59.45 -40.02 85.46 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -60.62 -50.37 73.77 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.381 -0.825 . . . . 0.0 109.653 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.71 -40.71 84.26 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.237 -0.915 . . . . 0.0 109.359 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -62.54 -48.2 80.54 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.868 -0.52 . . . . 0.0 110.673 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.1 t -71.51 -44.24 71.12 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.593 0 O-C-N 119.925 -1.735 . . . . 0.0 108.435 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -61.68 -41.46 97.59 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.329 -0.857 . . . . 0.0 110.053 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.93 -42.92 99.65 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.457 ' SD ' ' NZ ' ' B' ' 210' ' ' LYS . 5.1 mmt -69.18 -39.22 78.83 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.206 -0.934 . . . . 0.0 112.178 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.64 56.83 0.28 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.602 -1.311 . . . . 0.0 109.382 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -106.55 141.56 37.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 109.311 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.023 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.772 ' H1 ' ' OE2' ' A' ' 87' ' ' GLU . . . . . . . . 0 C--O 1.216 -0.676 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 0.8 OUTLIER -114.08 -7.58 13.06 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.759 -0.588 . . . . 0.0 110.077 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.545 ' N ' ' SD ' ' B' ' 201' ' ' MET . 37.0 p-10 -57.94 -34.38 69.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.868 -1.145 . . . . 0.0 108.918 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.531 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.5 p -62.93 -8.14 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.598 -0.689 . . . . 0.0 110.507 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -55.69 -48.58 74.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.449 -1.407 . . . . 0.0 110.082 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.5 mtp -65.72 -43.32 89.42 Favored 'General case' 0 N--CA 1.511 2.593 0 O-C-N 120.518 -1.364 . . . . 0.0 110.423 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.51 -38.87 77.76 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.106 -0.996 . . . . 0.0 111.05 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' B' ' 208' ' ' LEU . . . -75.26 0.14 60.23 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.8 OUTLIER -36.38 -58.13 0.71 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.574 -0.957 . . . . 0.0 111.143 -178.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.438 ' HB2' ' HZ3' ' A' ' 75' ' ' LYS . 75.2 m -66.27 -40.11 89.88 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.674 -1.266 . . . . 0.0 110.181 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.556 ' H ' ' NZ ' ' A' ' 75' ' ' LYS . 66.3 mmtt -63.22 -37.01 85.57 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.376 -0.827 . . . . 0.0 110.565 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -58.48 -27.01 64.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.901 -1.124 . . . . 0.0 109.932 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -142.08 128.89 20.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.09 -1.006 . . . . 0.0 109.81 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -177.85 -104.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.37 -39.42 97.23 Favored Glycine 0 N--CA 1.5 2.921 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 1.4 p -52.14 -16.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.0 -1.294 . . . . 0.0 110.011 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.27 -42.17 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.246 -0.909 . . . . 0.0 111.451 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -59.82 -50.11 75.09 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.603 -1.311 . . . . 0.0 111.634 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.44 ' CB ' HD21 ' A' ' 116' ' ' LEU . . . -67.89 -40.14 83.55 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.508 -1.37 . . . . 0.0 109.814 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -125.2 -95.83 0.45 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.701 -0.624 . . . . 0.0 109.389 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.315 0.579 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.67 -7.23 59.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 0.0 109.16 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' A' ' 4' ' ' LEU . 24.9 tm0? -89.32 122.24 32.37 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -0.895 . . . . 0.0 109.29 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 9.1 tp -96.72 142.16 29.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.458 -0.776 . . . . 0.0 109.331 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.2 p -109.73 157.52 19.04 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-O 121.688 0.756 . . . . 0.0 110.682 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.38 -39.91 94.78 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.706 -0.621 . . . . 0.0 110.053 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.84 -41.09 97.39 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.071 -1.018 . . . . 0.0 110.303 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -61.42 -40.09 93.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.102 -0.999 . . . . 0.0 110.02 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.15 -40.01 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.594 -1.316 . . . . 0.0 109.64 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.97 76.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.924 -1.11 . . . . 0.0 109.837 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.79 -42.51 97.7 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.812 -1.18 . . . . 0.0 110.331 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -86.96 -19.26 29.02 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.911 -1.118 . . . . 0.0 109.752 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.32 -43.21 98.44 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.798 -1.189 . . . . 0.0 109.206 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.83 -43.48 98.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.078 -1.014 . . . . 0.0 109.255 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.55 84.11 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.205 -0.935 . . . . 0.0 109.188 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 -45.28 86.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.491 -0.755 . . . . 0.0 111.34 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.32 -39.3 82.63 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.059 -1.026 . . . . 0.0 111.503 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -42.07 63.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.72 -1.237 . . . . 0.0 110.502 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -67.66 -38.69 84.15 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.796 -1.19 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 52.2 t0 -84.05 82.98 8.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.676 -1.265 . . . . 0.0 109.711 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -63.34 -25.38 68.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.251 -0.906 . . . . 0.0 110.083 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.36 -28.8 70.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.987 -1.071 . . . . 0.0 110.131 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.83 85.12 Favored Glycine 0 N--CA 1.498 2.795 0 O-C-N 120.532 -1.355 . . . . 0.0 110.129 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -91.59 5.15 50.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.453 -1.028 . . . . 0.0 109.793 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.91 12.52 84.52 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 72.9 p -137.68 149.82 46.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.183 -1.187 . . . . 0.0 109.205 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -105.67 130.56 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 CA-C-O 121.715 0.769 . . . . 0.0 109.087 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.6 p -107.43 158.28 17.31 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.9 p -55.65 -35.72 66.25 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.15 -0.969 . . . . 0.0 110.121 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -64.73 -42.35 95.28 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.263 -0.898 . . . . 0.0 110.0 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.98 -42.07 90.32 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.853 . . . . 0.0 111.384 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD22 ' SD ' ' B' ' 201' ' ' MET . 0.5 OUTLIER -71.29 -56.04 6.83 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.037 . . . . 0.0 110.223 -178.653 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.96 -40.07 96.44 Favored Glycine 0 N--CA 1.486 1.988 0 C-N-CA 119.056 -1.545 . . . . 0.0 109.88 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.0 m -59.88 -46.17 90.17 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.985 -1.303 . . . . 0.0 109.098 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 p -76.14 -38.41 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.68 -1.262 . . . . 0.0 108.978 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.569 ' SD ' ' SD ' ' B' ' 201' ' ' MET . 10.5 ttp -65.1 -27.6 68.86 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 120.85 -1.156 . . . . 0.0 108.815 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -60.94 -37.74 83.41 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.329 -0.857 . . . . 0.0 109.686 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 40' ' ' GLY . 46.2 t -57.8 -35.25 70.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 108.766 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.2 tt -65.33 16.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.612 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.85 36.37 92.07 Favored Glycine 0 N--CA 1.484 1.858 0 O-C-N 121.063 -1.023 . . . . 0.0 110.582 178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -110.75 154.69 23.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.521 -0.988 . . . . 0.0 109.803 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -138.59 68.71 45.3 Favored Pre-proline 0 C--N 1.296 -1.728 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.69 163.74 28.8 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 123.049 2.499 . . . . 0.0 112.825 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 p -105.69 165.25 11.3 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 121.735 0.779 . . . . 0.0 109.574 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.07 -42.02 93.66 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.643 -0.661 . . . . 0.0 110.194 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.91 95.53 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.32 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.34 -45.22 88.8 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.952 -1.092 . . . . 0.0 110.221 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.08 -35.52 80.0 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.368 -0.833 . . . . 0.0 109.558 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -58.72 -48.43 81.19 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.065 -1.022 . . . . 0.0 109.806 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.37 -41.61 97.36 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.05 -1.031 . . . . 0.0 109.73 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.3 mtt -60.98 -51.63 68.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.112 -0.993 . . . . 0.0 110.674 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.2 -40.06 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.978 -1.076 . . . . 0.0 110.495 -178.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.29 -36.25 75.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.534 -0.729 . . . . 0.0 110.236 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -58.88 -24.08 61.81 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.187 -0.946 . . . . 0.0 111.71 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -122.75 16.31 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.4 0 O-C-N 121.249 -0.907 . . . . 0.0 111.296 -179.269 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 64.4 t0 -85.69 105.92 16.59 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.692 -1.255 . . . . 0.0 109.146 179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.45 -24.16 17.43 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.22 -0.925 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 37.0 p30 -90.81 -6.63 54.04 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.887 -1.133 . . . . 0.0 109.439 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.26 24.95 66.02 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.5 p-10 -92.88 0.1 57.34 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -1.148 . . . . 0.0 109.62 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.45 17.37 77.72 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.455 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.07 161.54 37.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.164 -1.198 . . . . 0.0 107.951 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.3 mt -101.52 122.19 53.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -92.21 153.28 19.39 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.002 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 10.4 t80 -43.54 -52.2 14.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 O-C-N 121.327 -0.858 . . . . 0.0 112.095 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -59.67 -32.8 96.41 Favored 'Trans proline' 0 N--CA 1.49 1.288 0 CA-C-N 120.921 1.365 . . . . 0.0 111.469 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -64.97 -43.76 91.58 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -60.94 -44.43 97.25 Favored 'General case' 0 N--CA 1.497 1.918 0 CA-C-O 121.423 0.63 . . . . 0.0 110.013 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 tp -58.6 -39.22 79.8 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.835 0.826 . . . . 0.0 109.32 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -62.04 -44.05 97.54 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.3 ttp -62.0 -41.05 97.63 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.189 -0.944 . . . . 0.0 109.638 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.54 -44.03 93.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.203 -0.936 . . . . 0.0 110.873 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.54 -23.71 42.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.848 -1.157 . . . . 0.0 108.669 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -58.18 -26.56 62.93 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.692 -0.63 . . . . 0.0 110.147 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 38.7 ttpt -57.1 -44.27 83.05 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 109.07 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 mtt -61.4 -43.65 98.51 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 108.912 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -70.17 -37.3 75.13 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.183 -0.948 . . . . 0.0 109.903 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 47.6 m-20 60.12 51.81 5.46 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.337 0.589 . . . . 0.0 109.687 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -69.94 0.59 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.336 -0.853 . . . . 0.0 110.077 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 81' ' ' SER . 57.8 p-10 -81.2 -16.37 52.99 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.69 -1.256 . . . . 0.0 109.285 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 90.8 p -55.79 -24.63 36.93 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.183 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.59 -41.99 91.52 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -64.77 -39.42 93.58 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.473 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -73.08 -18.76 61.28 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mt -61.05 -43.67 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.908 -1.12 . . . . 0.0 108.657 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -65.41 -39.27 91.95 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.642 -1.286 . . . . 0.0 110.665 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.13 -38.19 87.55 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.887 -1.133 . . . . 0.0 110.168 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.77 -34.84 67.99 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 32.0 t80 -56.55 -38.34 71.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.844 -1.16 . . . . 0.0 108.886 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.08 -40.37 97.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.78 . . . . 0.0 110.794 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.94 -39.88 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.009 . . . . 0.0 109.543 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.16 -41.45 63.89 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.305 -0.872 . . . . 0.0 109.866 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -81.24 82.66 7.06 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.021 -1.049 . . . . 0.0 109.883 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.41 -44.62 90.7 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.646 -0.659 . . . . 0.0 111.344 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 52.9 p-10 -68.78 -27.12 65.6 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.011 -1.056 . . . . 0.0 110.792 -178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.31 16.48 79.82 Favored Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.578 -1.296 . . . . 0.0 110.072 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.8 p-10 -68.79 -7.26 32.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.903 -1.351 . . . . 0.0 108.585 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.59 -2.23 80.07 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.527 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.2 m-85 -134.02 142.3 47.57 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -96.8 127.87 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.56 -1.338 . . . . 0.0 109.151 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.4 p -105.68 165.21 11.33 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.816 0.817 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.88 86.1 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.868 -0.52 . . . . 0.0 111.379 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.12 83.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.452 -1.405 . . . . 0.0 108.624 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.6 -40.49 94.99 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.238 -0.914 . . . . 0.0 109.961 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.36 -40.68 85.81 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.211 -0.93 . . . . 0.0 111.008 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -63.8 -37.96 89.33 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.394 -1.441 . . . . 0.0 109.983 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -64.75 -60.05 3.54 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.448 -0.783 . . . . 0.0 112.389 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.74 -40.65 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.079 -1.013 . . . . 0.0 109.769 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.453 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -62.75 -38.01 88.85 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.023 -1.048 . . . . 0.0 110.041 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.2 m -64.39 -40.74 96.39 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.224 -0.923 . . . . 0.0 110.799 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -64.14 -23.12 67.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.111 -0.993 . . . . 0.0 111.349 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.04 7.87 38.27 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 120.907 -1.121 . . . . 0.0 109.832 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 11.05 83.66 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.55 127.07 47.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.588 -0.948 . . . . 0.0 108.889 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -135.78 116.81 14.3 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.557 -0.714 . . . . 0.0 109.465 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.623 HD21 ' HB1' ' B' ' 218' ' ' ALA . 4.8 mp -114.56 -177.49 3.14 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -101.35 162.74 12.68 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.29 -0.881 . . . . 0.0 109.08 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.38 -40.68 82.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 110.047 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.51 -41.55 94.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.051 -1.031 . . . . 0.0 109.157 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.12 -43.44 98.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.355 -0.841 . . . . 0.0 109.67 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -72.77 -32.86 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -58.94 -40.66 85.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.039 -1.038 . . . . 0.0 108.851 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.5 -37.84 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.136 -0.978 . . . . 0.0 109.857 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.03 -42.97 91.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.118 -0.989 . . . . 0.0 109.884 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -65.36 -46.2 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.117 -0.99 . . . . 0.0 110.099 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -62.91 -41.53 99.47 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.625 -1.297 . . . . 0.0 111.172 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.41 -39.19 85.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.88 -1.137 . . . . 0.0 111.211 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.52 -7.23 55.37 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.918 -1.114 . . . . 0.0 111.427 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -78.9 90.67 4.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.698 -1.252 . . . . 0.0 109.795 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.26 -44.45 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.548 -0.72 . . . . 0.0 111.312 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.7 p30 -77.32 -24.28 50.86 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.092 -1.005 . . . . 0.0 109.214 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.564 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.62 21.72 57.47 Favored Glycine 0 N--CA 1.482 1.704 0 C-N-CA 119.608 -1.282 . . . . 0.0 109.939 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.8 p30 -77.87 -11.78 59.92 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.354 -1.086 . . . . 0.0 110.634 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.51 -10.52 73.12 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.433 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.4 162.99 28.88 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.339 -1.095 . . . . 0.0 108.529 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.93 123.15 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.605 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.24 -174.67 2.58 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.995 0.902 . . . . 0.0 110.619 -177.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.8 m-85 -62.06 -40.09 94.61 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.9 -50.84 71.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.378 -0.826 . . . . 0.0 109.805 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.39 -41.62 84.69 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 121.213 -0.929 . . . . 0.0 109.245 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.95 -47.42 83.26 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.588 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.55 -43.19 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.029 -1.669 . . . . 0.0 108.654 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -64.98 -38.34 90.64 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.38 -0.825 . . . . 0.0 110.564 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.2 ttt -61.23 -38.75 87.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.252 -0.905 . . . . 0.0 110.489 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 85.0 mmm -86.47 -8.88 57.23 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.144 -0.973 . . . . 0.0 112.456 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.36 55.71 1.51 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 120.575 -1.328 . . . . 0.0 109.076 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.86 139.15 41.74 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.405 -0.809 . . . . 0.0 109.466 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.008 -0.996 . . . . 0.0 108.855 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.789 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.619 ' SD ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -64.19 136.27 57.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.227 -0.921 . . . . 0.0 108.628 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 25.4 p-10 -42.54 -55.2 3.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.397 -0.815 . . . . 0.0 110.263 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 2.4 p -73.51 -31.42 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.721 -1.237 . . . . 0.0 110.616 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -57.2 -49.83 74.75 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 120.721 -1.237 . . . . 0.0 110.2 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 63.9 mtp -71.96 -39.45 69.35 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.532 -1.355 . . . . 0.0 109.472 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -63.32 -42.03 98.96 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.25 -0.906 . . . . 0.0 110.213 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.57 -39.63 96.73 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.446 ' O ' HD12 ' B' ' 208' ' ' LEU . 0.1 OUTLIER -73.93 -48.63 29.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.252 . . . . 0.0 109.137 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 90.3 p -62.54 -26.23 68.46 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.175 -0.953 . . . . 0.0 109.551 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -45.39 94.55 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.245 -0.909 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -86.72 -13.14 46.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.276 -0.89 . . . . 0.0 110.03 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -60.62 -45.47 93.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.043 -1.035 . . . . 0.0 109.596 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.565 ' O ' HG23 ' B' ' 216' ' ' VAL . 22.1 pt-20 -70.31 -43.64 69.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.147 -0.971 . . . . 0.0 109.573 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.15 98.08 Favored Glycine 0 N--CA 1.497 2.742 0 C-N-CA 119.788 -1.196 . . . . 0.0 110.275 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.457 HG13 ' O ' ' B' ' 215' ' ' VAL . 0.4 OUTLIER -72.34 9.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.913 -1.345 . . . . 0.0 110.251 -179.126 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 213' ' ' GLU . 43.9 t -61.75 -38.08 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.209 -0.932 . . . . 0.0 110.319 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.47 80.6 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.998 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.648 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -60.72 -40.38 92.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.517 -1.365 . . . . 0.0 109.417 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 72.44 16.41 4.96 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.321 -0.862 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -72.83 -12.2 60.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.226 -0.921 . . . . 0.0 109.533 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -134.87 146.34 49.14 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.564 -0.71 . . . . 0.0 109.261 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.89 143.26 49.42 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.327 -0.858 . . . . 0.0 108.879 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -109.19 156.96 19.25 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-O 121.558 0.694 . . . . 0.0 110.565 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -39.76 94.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.557 -0.714 . . . . 0.0 110.5 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -61.51 -40.72 95.62 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 120.979 -1.076 . . . . 0.0 110.375 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -61.39 -40.03 92.88 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.023 . . . . 0.0 110.173 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.23 -39.63 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.464 -1.398 . . . . 0.0 109.654 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.35 76.37 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.901 -1.125 . . . . 0.0 109.792 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.772 -1.205 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -86.74 -19.37 29.23 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.869 -1.145 . . . . 0.0 109.775 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.4 -43.16 98.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 109.072 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.98 -46.28 89.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.194 -0.942 . . . . 0.0 108.985 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.76 81.81 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.218 -0.926 . . . . 0.0 109.493 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.04 -46.01 82.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.304 -0.872 . . . . 0.0 111.139 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.3 p -62.64 -21.99 66.09 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.871 -1.143 . . . . 0.0 111.779 -177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -41.9 88.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.402 -1.436 . . . . 0.0 110.094 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -69.38 -37.86 77.75 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.078 -1.014 . . . . 0.0 109.575 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.4 t0 -83.74 81.37 8.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.63 -1.294 . . . . 0.0 109.783 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.54 -22.56 66.72 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.17 -0.956 . . . . 0.0 110.007 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -63.09 -30.22 71.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 110.505 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 3.79 88.51 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.37 -1.457 . . . . 0.0 110.389 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -87.62 2.13 51.76 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.275 -1.132 . . . . 0.0 110.141 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.23 9.24 86.8 Favored Glycine 0 N--CA 1.492 2.421 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.531 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.442 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.9 p -136.02 150.14 49.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.251 -1.146 . . . . 0.0 108.87 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.02 131.0 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.742 0.782 . . . . 0.0 108.998 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.6 p -109.01 159.49 16.79 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.7 p -55.98 -35.8 67.15 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.242 -0.911 . . . . 0.0 110.224 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.6 -41.57 96.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.239 -0.913 . . . . 0.0 109.795 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -42.92 88.76 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.387 -0.821 . . . . 0.0 111.502 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.65 HD22 ' H3 ' ' B' ' 200' ' ' ACE . 0.7 OUTLIER -71.04 -52.56 18.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.996 -1.065 . . . . 0.0 110.178 -178.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.34 -39.63 96.4 Favored Glycine 0 N--CA 1.487 2.088 0 C-N-CA 119.539 -1.315 . . . . 0.0 109.864 -178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.5 m -60.61 -46.24 91.0 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.933 -1.334 . . . . 0.0 109.551 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.26 -37.67 32.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 120.753 -1.217 . . . . 0.0 109.154 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.457 ' SD ' ' C ' ' B' ' 200' ' ' ACE . 9.5 ttt -62.32 -35.04 77.83 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 120.762 -1.212 . . . . 0.0 108.87 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -57.1 -34.94 68.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.504 -0.748 . . . . 0.0 109.474 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.592 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -57.76 -36.06 71.59 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.263 -0.898 . . . . 0.0 109.377 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 18.15 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.111 -0.993 . . . . 0.0 109.073 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.13 38.57 96.15 Favored Glycine 0 N--CA 1.484 1.846 0 C-N-CA 120.214 -0.994 . . . . 0.0 110.65 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -117.27 159.89 21.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.517 -0.99 . . . . 0.0 109.395 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -141.63 73.02 24.62 Favored Pre-proline 0 C--N 1.299 -1.629 0 O-C-N 121.651 -0.656 . . . . 0.0 109.537 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.08 161.44 32.61 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.645 2.23 . . . . 0.0 112.072 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -104.25 163.67 12.26 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.755 0.788 . . . . 0.0 110.036 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -42.56 98.26 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.425 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.61 94.83 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.989 -1.069 . . . . 0.0 110.16 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -65.05 -43.52 92.01 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.852 -1.155 . . . . 0.0 109.987 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.47 -28.92 65.37 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.222 -0.924 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -59.14 -46.38 88.5 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.061 -1.025 . . . . 0.0 109.174 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.55 -41.18 94.0 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 38.0 ttp -60.22 -51.51 69.28 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.829 -1.17 . . . . 0.0 110.085 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.14 -36.27 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -58.33 -36.37 73.3 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 110.108 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -61.1 -19.62 61.67 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.257 -0.902 . . . . 0.0 111.852 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.3 p -133.81 28.72 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.296 0 O-C-N 120.928 -1.108 . . . . 0.0 111.34 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.2 t0 -90.73 100.47 13.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.782 -1.199 . . . . 0.0 108.705 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.06 -22.55 18.45 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.068 -1.02 . . . . 0.0 110.34 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.494 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 21.2 p30 -91.9 -11.17 37.07 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.993 -1.067 . . . . 0.0 109.144 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.48 24.89 69.7 Favored Glycine 0 N--CA 1.487 2.047 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.494 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.8 p30 -95.29 1.19 54.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.441 -1.035 . . . . 0.0 110.217 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.43 76.25 Favored Glycine 0 N--CA 1.493 2.486 0 O-C-N 121.05 -1.031 . . . . 0.0 110.614 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -142.16 162.2 36.07 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -1.218 . . . . 0.0 108.088 178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.8 mt -100.69 121.2 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.376 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.46 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 63.8 m-20 -91.32 155.7 18.32 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.001 -1.08 . . . . 0.0 108.75 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 12.6 t80 -45.67 -52.9 22.02 Favored Pre-proline 0 C--N 1.3 -1.579 0 O-C-N 121.437 -0.789 . . . . 0.0 112.048 -178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -59.56 -33.26 96.97 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.898 1.356 . . . . 0.0 111.419 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.59 -43.36 94.09 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -61.66 -45.17 95.18 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.65 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.26 -40.5 82.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.476 -0.765 . . . . 0.0 109.977 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 ttp -63.14 -40.02 96.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 109.495 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.3 -41.71 93.99 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 120.872 -1.142 . . . . 0.0 110.303 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.71 -24.33 49.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.933 -1.104 . . . . 0.0 108.946 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.557 ' HE ' ' HZ3' ' B' ' 206' ' ' LYS . 55.8 ttp180 -53.48 -21.76 6.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.317 -0.865 . . . . 0.0 109.278 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 27.7 ttpp -58.31 -42.49 86.79 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -60.35 -41.58 93.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.049 -179.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -73.73 -20.12 60.61 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.011 -1.056 . . . . 0.0 109.233 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.462 ' OD1' ' O ' ' A' ' 75' ' ' LYS . 68.1 m-20 54.39 35.39 22.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.556 -0.715 . . . . 0.0 110.603 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.8 m -70.12 -41.57 73.78 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.852 -1.155 . . . . 0.0 109.267 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.517 ' OD2' ' NH1' ' A' ' 74' ' ' ARG . 97.0 m-20 -109.2 -15.07 14.38 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.416 -0.802 . . . . 0.0 109.271 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -49.04 -36.55 18.36 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.482 -0.932 . . . . 0.0 108.482 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.29 -38.71 90.41 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.884 -1.135 . . . . 0.0 109.011 178.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.81 -46.08 90.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.475 -0.766 . . . . 0.0 111.68 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.575 ' HB2' HG23 ' B' ' 203' ' ' VAL . 20.2 pt-20 -67.72 -25.22 65.55 Favored 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.558 -1.339 . . . . 0.0 111.564 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mt -61.14 -45.99 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.135 -0.978 . . . . 0.0 108.946 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -68.51 -39.65 81.16 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.542 -1.349 . . . . 0.0 110.951 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.06 -37.53 78.57 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.779 -1.2 . . . . 0.0 110.184 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.12 62.97 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.155 -0.966 . . . . 0.0 109.578 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.2 t80 -57.58 -39.17 76.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.029 -1.044 . . . . 0.0 108.411 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -63.36 -40.6 97.71 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.474 -0.766 . . . . 0.0 110.457 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.39 -41.93 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.14 -0.975 . . . . 0.0 109.278 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -71.45 -40.15 70.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.206 -0.934 . . . . 0.0 109.702 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -82.09 85.71 6.71 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.96 -1.088 . . . . 0.0 110.302 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.72 -43.55 93.05 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.52 -0.738 . . . . 0.0 112.018 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.1 p-10 -69.13 -27.83 65.92 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.749 -1.219 . . . . 0.0 111.511 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.4 16.06 80.07 Favored Glycine 0 N--CA 1.488 2.155 0 C-N-CA 119.412 -1.375 . . . . 0.0 110.256 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.553 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 48.0 p-10 -74.58 -4.5 37.4 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.782 -1.422 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.31 -5.22 84.27 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.553 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.4 m-85 -132.68 136.96 46.76 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.7 mt -95.59 130.92 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.336 -1.477 . . . . 0.0 109.732 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.2 m -102.01 165.37 11.21 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.333 -0.854 . . . . 0.0 109.986 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.16 94.05 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.386 -0.821 . . . . 0.0 112.872 -177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.54 84.68 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 119.951 -1.718 . . . . 0.0 109.551 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 78.4 mt-10 -62.71 -40.7 97.97 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.221 -0.924 . . . . 0.0 111.961 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.595 HD23 ' SD ' ' A' ' 109' ' ' MET . 4.4 tt -65.9 -37.21 85.5 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.952 -1.093 . . . . 0.0 111.235 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -67.29 -35.71 80.04 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.825 -1.172 . . . . 0.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -57.27 -58.29 8.87 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 121.324 -0.86 . . . . 0.0 113.024 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.2 -39.28 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.595 ' SD ' HD23 ' A' ' 105' ' ' LEU . 93.8 mtp -62.63 -38.71 91.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 110.342 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.3 m -65.84 -40.56 91.86 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.233 -0.917 . . . . 0.0 110.643 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.0 -21.7 66.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.035 -1.04 . . . . 0.0 110.488 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.4 mt -96.76 10.67 38.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.66 19.59 78.99 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.99 -1.1 . . . . 0.0 110.374 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -111.85 143.65 42.45 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.493 -1.004 . . . . 0.0 109.423 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -157.81 132.61 8.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.871 . . . . 0.0 109.828 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.705 HD11 ' HB1' ' B' ' 218' ' ' ALA . 2.0 mp -117.46 -171.86 2.12 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -100.82 162.22 13.06 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.159 -0.963 . . . . 0.0 109.139 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.53 -39.56 84.31 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.188 -0.945 . . . . 0.0 110.065 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -61.19 -41.79 97.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.066 -1.021 . . . . 0.0 109.048 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.71 -43.68 95.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.27 -0.894 . . . . 0.0 109.931 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -72.08 -36.5 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.59 -43.63 97.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.084 -1.01 . . . . 0.0 109.994 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.21 -38.42 89.08 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.097 -1.002 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.4 mtt -61.03 -40.87 95.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.154 -0.966 . . . . 0.0 109.726 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.33 -43.7 98.73 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.037 -1.039 . . . . 0.0 108.576 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -61.51 -45.37 94.51 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.094 -1.004 . . . . 0.0 111.044 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.06 -38.9 89.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.964 -1.085 . . . . 0.0 111.25 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.27 -1.12 57.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.985 -1.072 . . . . 0.0 110.648 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -79.53 82.0 5.71 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 120.897 -1.127 . . . . 0.0 110.49 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.58 -45.69 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.345 -0.847 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p-10 -76.0 -25.69 55.99 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.926 -1.109 . . . . 0.0 108.959 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.32 20.65 60.06 Favored Glycine 0 N--CA 1.482 1.74 0 C-N-CA 119.342 -1.409 . . . . 0.0 109.733 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.4 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 53.9 p-10 -81.06 -5.25 57.4 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.167 -1.196 . . . . 0.0 110.146 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.1 83.38 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.758 -1.211 . . . . 0.0 110.233 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -137.42 157.95 45.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.179 -1.189 . . . . 0.0 108.46 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.43 124.26 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.042 -1.036 . . . . 0.0 109.189 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.635 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.5 178.79 4.38 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.639 0.733 . . . . 0.0 109.891 -178.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 5.0 m-85 -58.41 -40.34 82.2 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.33 -51.76 68.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.439 -0.788 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 131' ' ' ASP . 90.9 mt-10 -65.77 -39.8 91.38 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 120.84 -1.163 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -61.57 -49.11 77.99 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.689 -0.632 . . . . 0.0 110.356 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 65.3 t -72.19 -44.46 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.55 0 O-C-N 119.969 -1.707 . . . . 0.0 108.609 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -62.32 -40.21 95.58 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.332 -0.855 . . . . 0.0 110.213 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.6 ttt -60.95 -42.82 98.96 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.409 ' O ' ' N ' ' A' ' 147' ' ' ALA . 4.9 mmt -67.27 -36.66 82.04 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.276 -0.89 . . . . 0.0 112.74 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -71.23 54.74 0.2 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.247 -1.533 . . . . 0.0 109.632 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -107.31 142.34 37.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 0.0 109.461 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.896 -179.815 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.65 ' H3 ' HD22 ' A' ' 32' ' ' LEU . . . . . . . . 0 C--O 1.214 -0.794 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.476 ' O ' ' N ' ' B' ' 204' ' ' PHE . 11.1 tpt -66.31 132.36 48.19 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 32.5 p-10 -39.17 -44.69 1.23 Allowed 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.159 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 84' ' ' GLU . 13.5 p -75.9 -34.98 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.195 -0.941 . . . . 0.0 110.016 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' B' ' 201' ' ' MET . 75.1 t80 -58.14 -49.05 78.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.766 -1.209 . . . . 0.0 109.791 -178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.4 mtp -64.47 -41.7 96.33 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.679 -1.263 . . . . 0.0 108.503 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.557 ' HZ3' ' HE ' ' A' ' 74' ' ' ARG . 50.8 tptt -67.39 -37.05 82.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.542 -0.724 . . . . 0.0 109.758 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -70.17 -2.25 39.15 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 3.4 mt -46.0 -52.4 11.84 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.188 -1.183 . . . . 0.0 109.531 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.0 m -68.21 -40.13 82.22 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.079 -1.013 . . . . 0.0 110.392 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.61 -38.61 88.22 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 110.223 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -57.83 -25.83 61.19 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.026 -1.046 . . . . 0.0 109.536 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -142.46 121.73 13.07 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.118 -0.989 . . . . 0.0 109.417 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 177.62 -103.77 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -61.52 -39.74 97.74 Favored Glycine 0 N--CA 1.498 2.808 0 N-CA-C 108.752 -1.739 . . . . 0.0 108.752 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 2.0 p -53.5 -17.39 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.132 -1.217 . . . . 0.0 110.01 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' B' ' 218' ' ' ALA . 54.4 t -61.16 -41.99 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.133 -0.979 . . . . 0.0 109.278 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -73.16 30.0 0.07 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.129 -0.982 . . . . 0.0 109.542 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.705 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -60.16 -39.87 87.9 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.195 -0.941 . . . . 0.0 109.389 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -168.29 -67.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.183 -0.948 . . . . 0.0 109.542 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.872 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.294 0.569 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -85.02 73.37 10.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.221 -0.924 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -101.03 0.44 38.05 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.567 -0.708 . . . . 0.0 109.411 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -81.8 141.52 33.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 109.128 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -108.53 156.67 19.23 Favored 'General case' 0 N--CA 1.501 2.109 0 CA-C-O 121.567 0.699 . . . . 0.0 110.674 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.91 -39.56 90.7 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.7 mp0 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.951 -1.093 . . . . 0.0 110.147 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -61.31 -40.37 93.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.263 -0.898 . . . . 0.0 109.759 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.85 -38.84 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.701 -1.249 . . . . 0.0 109.76 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -29.98 71.16 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.832 -1.167 . . . . 0.0 110.003 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.08 -42.07 99.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.88 -1.137 . . . . 0.0 110.07 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -86.94 -18.71 30.12 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.875 -1.141 . . . . 0.0 109.713 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.04 -42.81 96.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.822 -1.174 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.52 -43.27 97.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.948 -1.095 . . . . 0.0 108.948 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.38 80.55 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.242 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.76 -45.9 85.28 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.301 -0.875 . . . . 0.0 111.296 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.69 -21.82 66.03 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.906 -1.121 . . . . 0.0 111.636 -177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -41.15 88.49 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.59 -1.319 . . . . 0.0 110.107 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -70.03 -37.23 75.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.104 -0.998 . . . . 0.0 109.893 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 53.4 t0 -82.81 82.2 8.22 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.696 -1.253 . . . . 0.0 109.893 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -64.68 -24.63 67.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.231 -0.918 . . . . 0.0 109.756 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.21 -30.0 71.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.235 -0.916 . . . . 0.0 110.455 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.1 5.88 87.3 Favored Glycine 0 N--CA 1.495 2.594 0 O-C-N 120.325 -1.484 . . . . 0.0 110.101 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -88.33 3.6 49.15 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.382 -1.069 . . . . 0.0 110.04 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.57 87.52 Favored Glycine 0 N--CA 1.489 2.174 0 C-N-CA 119.864 -1.16 . . . . 0.0 110.246 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 81.0 p -136.19 151.33 49.61 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.281 -1.129 . . . . 0.0 109.07 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.9 mt -102.61 129.28 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 31' ' ' GLU . 74.7 p -105.51 157.0 17.68 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.301 0.572 . . . . 0.0 109.823 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.8 p -54.6 -35.34 63.27 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.352 -0.842 . . . . 0.0 110.192 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -66.46 -41.03 89.66 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.196 -0.94 . . . . 0.0 109.959 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' OE1' ' OG1' ' A' ' 28' ' ' THR . 39.2 mt-10 -65.89 -41.8 91.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.858 . . . . 0.0 111.594 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' SD ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -70.9 -56.56 5.98 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.988 -1.07 . . . . 0.0 110.451 -178.297 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.76 -40.18 96.29 Favored Glycine 0 N--CA 1.487 2.038 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.01 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -60.11 -46.61 89.05 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.064 -1.257 . . . . 0.0 109.546 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.98 -40.03 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.772 -1.205 . . . . 0.0 109.61 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.493 ' O ' ' NE2' ' A' ' 41' ' ' GLN . 50.6 ttp -64.56 -34.85 79.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.758 -1.214 . . . . 0.0 108.884 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.64 -34.18 69.05 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.423 -0.798 . . . . 0.0 109.525 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.3 m -56.64 -35.74 68.7 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.145 -0.972 . . . . 0.0 109.558 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' CB ' HE21 ' A' ' 41' ' ' GLN . 0.4 OUTLIER -69.03 22.04 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.017 -1.052 . . . . 0.0 108.861 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.589 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 67.09 42.77 91.7 Favored Glycine 0 N--CA 1.485 1.931 0 O-C-N 121.085 -1.009 . . . . 0.0 110.773 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 36' ' ' MET . 33.5 mt-30 -115.72 154.03 30.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.998 . . . . 0.0 109.649 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -141.76 69.41 24.79 Favored Pre-proline 0 C--N 1.295 -1.784 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -76.04 161.78 35.28 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.762 2.308 . . . . 0.0 112.607 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.6 p -104.21 166.56 10.33 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.706 0.765 . . . . 0.0 109.814 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -59.22 -45.0 92.27 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.721 -0.612 . . . . 0.0 110.262 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.33 -39.47 93.17 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.03 -1.044 . . . . 0.0 110.186 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.5 -46.04 87.93 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.812 -1.18 . . . . 0.0 109.939 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.94 -37.53 84.48 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.4 -0.812 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -59.29 -46.48 88.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.913 -1.117 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.96 -44.44 94.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.136 -0.977 . . . . 0.0 110.393 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.1 mtp -58.78 -57.14 14.32 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.92 -1.112 . . . . 0.0 110.658 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.42 -36.95 77.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 110.295 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -58.08 -36.78 73.34 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.373 -0.829 . . . . 0.0 110.639 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -60.99 -18.78 59.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.095 -1.003 . . . . 0.0 111.763 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.8 p -132.35 26.19 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 O-C-N 121.049 -1.032 . . . . 0.0 111.46 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -89.77 100.26 13.1 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.71 -1.244 . . . . 0.0 108.609 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.15 -22.88 18.18 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.067 -1.021 . . . . 0.0 110.463 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.527 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 22.9 p30 -90.84 -10.67 41.87 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.989 -1.069 . . . . 0.0 109.15 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.69 24.57 69.78 Favored Glycine 0 N--CA 1.487 2.079 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.527 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.9 p30 -95.9 1.04 52.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.329 -1.1 . . . . 0.0 110.115 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.04 20.26 76.18 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.032 -1.042 . . . . 0.0 110.511 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.421 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.8 p -141.6 160.93 39.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.13 -1.218 . . . . 0.0 108.082 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.9 mt -100.4 121.41 51.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.4 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.5 m-20 -91.22 155.18 18.77 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 119.227 -0.989 . . . . 0.0 108.905 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.7 t80 -45.03 -52.72 18.57 Favored Pre-proline 0 C--N 1.3 -1.565 0 O-C-N 121.27 -0.894 . . . . 0.0 111.958 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 17.8 Cg_endo -59.27 -34.43 98.03 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 CA-C-N 120.843 1.337 . . . . 0.0 111.415 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.25 -43.63 94.29 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -61.72 -45.3 94.55 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.386 0.612 . . . . 0.0 110.608 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.8 tp -57.66 -39.45 77.1 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.802 0.811 . . . . 0.0 109.779 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.79 -42.68 94.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.832 -0.543 . . . . 0.0 109.764 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.8 ttp -64.26 -41.26 97.03 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.97 . . . . 0.0 109.377 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mmm -59.92 -42.35 93.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.044 -1.035 . . . . 0.0 110.378 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.88 -24.12 48.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.773 -1.204 . . . . 0.0 109.008 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -54.94 -21.65 12.43 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.346 -0.846 . . . . 0.0 109.796 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -58.31 -42.45 86.72 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 76' ' ' MET . 0.4 OUTLIER -61.73 -39.77 92.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 0.0 109.267 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -60.93 -39.31 88.93 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.117 -0.989 . . . . 0.0 109.58 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.436 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 15.6 t0 67.39 55.78 0.64 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.849 -0.532 . . . . 0.0 109.721 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.05 -77.2 0.56 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.509 -0.745 . . . . 0.0 109.427 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 81' ' ' SER . 58.4 p30 -81.47 -14.12 57.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.869 -1.144 . . . . 0.0 108.613 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.483 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 95.9 p -48.35 -29.25 3.76 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.74 -41.14 99.05 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.068 -1.02 . . . . 0.0 108.286 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 80' ' ' ASP . 88.3 tt0 -63.91 -46.11 86.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.51 -0.744 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 80' ' ' ASP . 20.1 mp0 -68.77 -36.87 78.86 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.096 -1.002 . . . . 0.0 110.401 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.97 -42.78 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 119.496 -0.882 . . . . 0.0 109.131 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.95 -37.34 85.76 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 120.838 -1.164 . . . . 0.0 109.777 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -63.44 -38.93 93.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.963 -1.086 . . . . 0.0 109.626 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -28.16 38.09 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.12 -0.987 . . . . 0.0 109.09 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.5 t80 -56.28 -39.22 72.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.49 -36.77 83.55 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.537 -0.727 . . . . 0.0 109.853 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -72.7 -39.79 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.05 -1.031 . . . . 0.0 109.765 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.12 -40.21 71.56 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.197 -0.94 . . . . 0.0 109.787 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -82.57 82.21 8.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.018 -1.051 . . . . 0.0 110.095 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.92 -42.5 97.36 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.369 -0.832 . . . . 0.0 111.346 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.7 p-10 -68.51 -26.62 65.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.92 -1.112 . . . . 0.0 110.905 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 76.81 16.37 80.82 Favored Glycine 0 N--CA 1.488 2.103 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.07 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -70.46 -5.37 28.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.896 -1.355 . . . . 0.0 108.795 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.48 2.18 82.73 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 108.854 -1.698 . . . . 0.0 108.854 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -137.92 144.68 41.4 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.8 mp -96.26 129.07 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.631 -1.293 . . . . 0.0 109.596 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.0 p -106.29 166.01 10.84 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.02 0.914 . . . . 0.0 110.633 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.95 93.12 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.881 -0.512 . . . . 0.0 111.88 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -37.77 88.56 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 108.748 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -61.18 -41.14 96.26 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.158 -0.964 . . . . 0.0 109.689 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.427 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.14 -41.16 90.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.503 -0.748 . . . . 0.0 110.476 -179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.29 -39.41 90.32 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.605 -1.31 . . . . 0.0 109.937 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.28 -61.89 1.96 Allowed 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.401 -0.812 . . . . 0.0 112.782 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.86 -40.79 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.19 -0.944 . . . . 0.0 109.529 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.427 ' SD ' HD23 ' A' ' 105' ' ' LEU . 98.5 mtp -63.18 -38.17 90.13 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.926 -1.109 . . . . 0.0 109.951 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.847 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 96.2 m -65.39 -40.35 93.33 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.256 -0.903 . . . . 0.0 110.991 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -64.58 -22.19 66.9 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.191 -0.943 . . . . 0.0 111.638 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.07 8.02 34.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.808 -1.183 . . . . 0.0 110.218 -177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.97 84.72 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -105.44 137.51 43.14 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.555 -0.967 . . . . 0.0 109.101 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.847 ' NZ ' HG23 ' A' ' 110' ' ' THR . 68.6 mttm -141.94 120.27 12.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.411 -0.806 . . . . 0.0 109.982 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -112.86 -177.78 3.22 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.4 p -101.28 162.32 12.98 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.251 -0.905 . . . . 0.0 109.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.86 -38.83 79.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.12 -0.988 . . . . 0.0 109.922 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.1 -39.9 94.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.1 -1.0 . . . . 0.0 109.218 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.23 -44.43 91.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.195 -0.941 . . . . 0.0 109.808 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -72.46 -37.33 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.66 -44.12 96.83 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.07 -1.019 . . . . 0.0 109.171 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.86 -38.24 90.08 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.918 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.7 ttt -58.54 -40.65 83.57 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 120.931 -1.106 . . . . 0.0 108.789 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -64.36 -44.68 97.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.397 -0.814 . . . . 0.0 109.361 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -61.26 -45.63 93.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.037 -1.04 . . . . 0.0 110.867 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.33 -38.56 87.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.04 -1.038 . . . . 0.0 111.07 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.34 5.95 35.97 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.089 -1.007 . . . . 0.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -83.35 77.88 9.73 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.892 -1.13 . . . . 0.0 110.72 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -46.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 120.938 -1.101 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.2 p-10 -76.15 -25.9 55.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.005 -1.059 . . . . 0.0 109.222 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.534 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 83.53 19.71 61.5 Favored Glycine 0 N--CA 1.482 1.722 0 C-N-CA 119.232 -1.461 . . . . 0.0 109.913 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.0 p-10 -81.08 -8.52 59.79 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.11 -1.229 . . . . 0.0 110.515 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.46 -4.43 84.16 Favored Glycine 0 N--CA 1.495 2.61 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.336 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.4 mp0 -131.02 163.68 27.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.198 -1.178 . . . . 0.0 108.536 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -98.2 123.94 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.006 . . . . 0.0 108.412 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.33 -177.39 3.31 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.862 0.839 . . . . 0.0 110.613 -178.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 7.7 m-85 -59.09 -41.33 87.81 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.374 0.607 . . . . 0.0 109.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.22 -49.41 77.71 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.365 -0.834 . . . . 0.0 109.497 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 144' ' ' MET . 85.3 mt-10 -70.44 -41.0 73.44 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.449 -0.782 . . . . 0.0 109.704 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.75 -46.67 88.59 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.792 -0.568 . . . . 0.0 111.162 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.42 -45.27 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.058 -1.651 . . . . 0.0 107.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -73.8 -20.47 60.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.356 -0.84 . . . . 0.0 111.092 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.1 tmt? -58.39 -43.73 88.66 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.802 -178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -74.22 -7.74 53.74 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.884 -1.135 . . . . 0.0 113.268 -178.193 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.21 42.65 0.15 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 119.762 -1.836 . . . . 0.0 108.709 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 145' ' ' MET . . . -106.21 138.04 43.1 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.109 -179.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.802 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.9 mtt -91.44 -3.94 56.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.226 -0.921 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 37.2 p-10 -59.6 -37.8 79.54 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.784 -1.198 . . . . 0.0 108.877 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.533 ' O ' HG22 ' B' ' 203' ' ' VAL . 1.7 p -59.19 -6.54 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.576 -0.703 . . . . 0.0 110.112 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -52.77 -47.3 67.59 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.272 -1.518 . . . . 0.0 110.373 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.463 ' SD ' HD21 ' A' ' 32' ' ' LEU . 99.0 mtp -62.36 -45.34 93.6 Favored 'General case' 0 N--CA 1.512 2.648 0 O-C-N 120.54 -1.35 . . . . 0.0 110.572 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -70.42 -39.38 74.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.954 -1.091 . . . . 0.0 110.32 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' B' ' 208' ' ' LEU . . . -70.43 -0.6 31.43 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.6 OUTLIER -36.67 -53.8 0.9 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.807 -0.819 . . . . 0.0 109.904 -179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 74.3 m -69.53 -39.11 77.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.036 -1.04 . . . . 0.0 110.017 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.407 ' HA ' ' H ' ' B' ' 214' ' ' GLY . 69.1 mttm -63.37 -19.87 65.03 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.46 -0.775 . . . . 0.0 110.388 -178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.16 77.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.884 -1.135 . . . . 0.0 109.193 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -122.28 -44.11 2.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.335 -0.853 . . . . 0.0 109.521 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -66.36 -39.46 89.16 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.188 -0.945 . . . . 0.0 110.118 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.407 ' H ' ' HA ' ' B' ' 210' ' ' LYS . . . -60.21 -40.05 96.79 Favored Glycine 0 N--CA 1.499 2.882 0 C-N-CA 119.87 -1.157 . . . . 0.0 110.649 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -7.83 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 120.673 -1.486 . . . . 0.0 109.587 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' B' ' 218' ' ' ALA . 51.1 t -61.28 -40.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.174 -0.954 . . . . 0.0 109.353 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.29 21.29 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 109.965 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.57 -40.06 90.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.035 -1.041 . . . . 0.0 109.155 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -162.05 -93.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.391 -0.818 . . . . 0.0 109.411 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -88.26 -2.77 58.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.278 -0.889 . . . . 0.0 109.371 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.7 -42.01 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.172 -0.955 . . . . 0.0 109.353 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 4' ' ' LEU . 11.2 tp -67.81 145.14 54.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 108.819 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.7 p -108.72 156.91 19.05 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-O 121.557 0.694 . . . . 0.0 110.548 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.99 -39.71 94.73 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.529 -0.732 . . . . 0.0 110.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 41.6 mp0 -61.5 -38.67 88.17 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.312 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -61.25 -41.2 96.5 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.012 -1.055 . . . . 0.0 110.256 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.1 mt -62.48 -39.98 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.73 -1.232 . . . . 0.0 109.705 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.63 75.96 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.872 -1.142 . . . . 0.0 109.862 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.33 -43.11 99.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.948 -1.095 . . . . 0.0 110.395 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -87.18 -18.84 29.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.886 -1.134 . . . . 0.0 109.689 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.2 -43.08 96.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.854 -1.154 . . . . 0.0 109.15 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -60.47 -45.91 92.02 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.015 -1.053 . . . . 0.0 108.964 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.83 -35.55 80.99 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.259 -0.901 . . . . 0.0 109.374 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -56.99 -45.39 83.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.329 -0.857 . . . . 0.0 111.139 -178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.0 p -63.23 -21.76 66.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.92 -1.112 . . . . 0.0 111.858 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -42.08 87.74 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.404 -1.435 . . . . 0.0 110.032 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -69.8 -37.34 76.25 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.044 -1.035 . . . . 0.0 109.408 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 54.3 t0 -83.16 81.22 8.78 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.731 -1.231 . . . . 0.0 109.59 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.23 -22.95 66.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.22 -0.925 . . . . 0.0 109.851 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -63.02 -29.55 70.91 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.157 -0.964 . . . . 0.0 110.248 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.03 4.72 88.92 Favored Glycine 0 N--CA 1.495 2.601 0 O-C-N 120.384 -1.447 . . . . 0.0 110.174 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.3 p30 -87.11 2.15 50.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.428 -1.042 . . . . 0.0 110.009 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.27 9.26 86.77 Favored Glycine 0 N--CA 1.49 2.249 0 C-N-CA 119.796 -1.192 . . . . 0.0 110.442 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 73.4 p -136.38 150.48 48.82 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.195 -1.179 . . . . 0.0 109.116 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.1 mt -100.34 129.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 66.7 p -107.91 157.27 18.34 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 121.238 0.542 . . . . 0.0 109.624 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -55.17 -34.59 63.97 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.244 -0.91 . . . . 0.0 110.078 -178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -65.82 -41.32 91.97 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.052 -1.03 . . . . 0.0 109.92 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 41.9 mt-10 -65.88 -42.53 90.21 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.453 -0.779 . . . . 0.0 111.722 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -55.32 8.24 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.013 -1.054 . . . . 0.0 110.417 -178.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.65 -40.16 96.1 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.319 -1.42 . . . . 0.0 109.871 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.9 m -59.73 -46.35 89.39 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.91 -1.347 . . . . 0.0 109.409 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.74 -39.92 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 120.643 -1.286 . . . . 0.0 109.738 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.2 ttp -64.94 -34.78 79.22 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.635 -1.291 . . . . 0.0 108.85 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttp85 -57.48 -34.48 69.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.314 -0.866 . . . . 0.0 109.056 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.622 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -54.29 -33.42 58.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 109.072 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 22.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.165 -0.959 . . . . 0.0 108.763 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 61.17 47.2 92.31 Favored Glycine 0 N--CA 1.486 1.996 0 O-C-N 121.191 -0.943 . . . . 0.0 110.872 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.702 HE22 ' CE ' ' B' ' 201' ' ' MET . 95.0 mt-30 -124.29 163.7 21.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.59 -0.947 . . . . 0.0 110.604 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 13.0 p30 -143.29 76.39 16.36 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.43 162.52 39.96 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.633 2.222 . . . . 0.0 112.923 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -105.67 168.39 9.14 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.803 0.811 . . . . 0.0 110.371 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -59.94 -42.91 95.02 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.804 -0.56 . . . . 0.0 110.208 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.106 -0.996 . . . . 0.0 110.12 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' OE2' ' H2 ' ' B' ' 200' ' ' ACE . 86.9 tt0 -66.13 -46.9 75.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.777 -1.202 . . . . 0.0 110.153 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.62 -40.41 92.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.135 -0.978 . . . . 0.0 109.685 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -63.11 -46.84 85.42 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.929 -1.107 . . . . 0.0 108.55 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.467 -0.77 . . . . 0.0 110.817 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.465 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 8.0 mtm -62.71 -51.89 65.4 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.012 -1.055 . . . . 0.0 110.628 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -37.77 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.951 -1.093 . . . . 0.0 110.663 -178.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -56.68 -33.88 66.85 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.412 -0.805 . . . . 0.0 110.055 -178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.72 -19.22 48.59 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.242 -0.912 . . . . 0.0 111.586 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -133.65 25.32 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.387 0 O-C-N 121.076 -1.015 . . . . 0.0 111.635 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 68.3 t0 -90.29 103.45 16.13 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.609 -1.307 . . . . 0.0 108.712 178.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.32 -24.2 17.5 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.108 -0.995 . . . . 0.0 110.636 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.7 p30 -88.81 -9.54 51.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.88 -1.138 . . . . 0.0 109.02 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.35 24.17 68.91 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.2 p-10 -94.64 1.03 55.56 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.413 -1.051 . . . . 0.0 109.796 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.11 18.75 76.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -141.9 161.2 38.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.17 -1.194 . . . . 0.0 107.895 178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.1 mt -100.92 121.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 49.3 m-20 -89.45 153.78 20.56 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 118.932 -1.107 . . . . 0.0 108.051 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -48.06 -46.35 64.98 Favored Pre-proline 0 C--N 1.3 -1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 111.716 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.64 -37.21 81.22 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 CA-C-N 121.176 1.456 . . . . 0.0 110.903 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -61.95 -43.83 98.03 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -61.1 -43.85 98.25 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.569 0.699 . . . . 0.0 109.958 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.1 tp -59.03 -40.74 85.95 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.819 0.818 . . . . 0.0 109.927 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.2 m -62.0 -45.08 95.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.743 -0.598 . . . . 0.0 109.438 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.7 ttp -61.39 -40.91 96.08 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.205 -0.935 . . . . 0.0 109.587 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.4 mmm -60.28 -42.86 96.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.071 -1.018 . . . . 0.0 110.726 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.58 49.76 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.962 -1.086 . . . . 0.0 108.742 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -57.52 -26.63 61.65 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.591 -0.693 . . . . 0.0 109.511 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.658 ' HZ3' ' H ' ' B' ' 209' ' ' SER . 98.2 mttt -59.29 -41.69 89.53 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.2 -38.71 90.2 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.276 -0.89 . . . . 0.0 109.206 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -70.71 -16.11 62.76 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.005 -1.059 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' OD1' ' OG ' ' A' ' 81' ' ' SER . 50.1 t0 56.62 53.16 8.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.375 -0.828 . . . . 0.0 110.301 179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.82 -67.97 0.82 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.199 -0.938 . . . . 0.0 109.576 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.8 -17.07 32.39 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.886 -1.134 . . . . 0.0 108.818 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.444 ' OG ' ' OD1' ' A' ' 78' ' ' ASP . 89.8 p -49.23 -30.05 6.55 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -63.98 -36.84 85.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.989 -1.069 . . . . 0.0 109.337 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.95 -42.53 94.24 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.998 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.624 ' HB2' HG23 ' B' ' 203' ' ' VAL . 12.3 pt-20 -70.75 -24.68 62.66 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.779 -1.201 . . . . 0.0 111.159 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.33 -47.48 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.07 -1.019 . . . . 0.0 108.981 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.49 -38.44 87.27 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.576 -1.327 . . . . 0.0 110.327 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.84 -36.88 84.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.006 -1.059 . . . . 0.0 109.832 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.31 63.6 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.201 -0.937 . . . . 0.0 109.845 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.594 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 28.5 t80 -57.74 -39.58 77.67 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.081 -1.012 . . . . 0.0 108.905 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -64.3 -40.24 95.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.391 -0.818 . . . . 0.0 110.578 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -73.57 -39.6 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 109.794 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.24 -41.97 66.21 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.422 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -88.65 86.39 6.99 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.867 -1.145 . . . . 0.0 110.25 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -77.12 -22.12 53.14 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.077 -1.015 . . . . 0.0 111.035 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 104' ' ' GLU . 98.0 m-20 -68.52 -29.42 68.01 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.857 -1.152 . . . . 0.0 110.61 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.78 4.44 88.12 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 24.6 p-10 -68.83 -8.32 42.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -1.234 . . . . 0.0 109.512 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.71 2.53 86.7 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 52.4 m-85 -135.81 144.96 46.0 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 178.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.8 mt -96.44 128.23 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.958 . . . . 0.0 109.796 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.9 p -106.05 164.88 11.63 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.206 -0.934 . . . . 0.0 110.425 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.48 90.29 Favored 'General case' 0 N--CA 1.502 2.15 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.873 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.1 84.63 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.27 -1.518 . . . . 0.0 108.472 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 95' ' ' ASP . 73.7 mt-10 -60.85 -41.28 95.55 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.108 -0.995 . . . . 0.0 109.754 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.83 -42.11 86.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.443 -0.786 . . . . 0.0 110.881 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -61.1 -38.63 86.99 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 120.636 -1.29 . . . . 0.0 110.07 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -64.65 -62.39 1.61 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.325 -0.859 . . . . 0.0 112.996 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.34 -40.25 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.027 -1.046 . . . . 0.0 109.491 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.417 ' SD ' HD23 ' A' ' 105' ' ' LEU . 96.9 mtp -62.75 -38.58 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.942 -1.099 . . . . 0.0 110.046 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -65.58 -40.29 92.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -0.929 . . . . 0.0 110.863 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.9 -22.52 66.96 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.069 -1.019 . . . . 0.0 111.29 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.3 mt -91.86 7.04 43.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.982 -1.074 . . . . 0.0 109.739 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.49 12.75 82.64 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' OE2' HG21 ' B' ' 215' ' ' VAL . 83.7 tt0 -102.17 127.95 48.89 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.594 -0.944 . . . . 0.0 109.168 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -137.8 118.88 14.41 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.518 -0.739 . . . . 0.0 109.418 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -113.18 -175.63 2.71 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -101.3 159.36 15.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.1 p-10 -57.36 -36.43 71.2 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.239 -0.913 . . . . 0.0 110.085 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.533 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -63.7 -39.84 95.31 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.129 -0.982 . . . . 0.0 109.165 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.25 -44.99 90.08 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.227 -0.92 . . . . 0.0 109.809 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.6 t -72.79 -37.85 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.06 -44.79 96.86 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.209 -0.932 . . . . 0.0 109.594 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.4 -37.64 88.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.151 -0.968 . . . . 0.0 109.941 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.4 ttt -57.69 -40.14 78.76 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 120.942 -1.099 . . . . 0.0 108.478 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.31 -41.52 89.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.61 -42.8 98.18 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.387 -0.821 . . . . 0.0 111.315 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -69.42 -40.01 77.52 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.918 -1.114 . . . . 0.0 111.161 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.14 6.07 27.26 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.382 -0.824 . . . . 0.0 111.038 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -81.21 76.44 8.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.936 -1.103 . . . . 0.0 110.442 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -87.39 -47.3 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 120.977 -1.077 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.1 p-10 -75.94 -26.0 56.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.841 -1.162 . . . . 0.0 108.947 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 82.66 20.0 62.62 Favored Glycine 0 N--CA 1.48 1.572 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.806 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 54.6 p-10 -80.22 -8.37 59.41 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.153 -1.204 . . . . 0.0 110.231 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.38 -4.61 85.39 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 119.781 -1.2 . . . . 0.0 110.363 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.1 mp0 -130.72 164.43 25.09 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -1.188 . . . . 0.0 108.71 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -99.5 124.03 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.616 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.28 -176.82 3.16 Favored 'General case' 0 N--CA 1.496 1.874 0 CA-C-O 121.941 0.877 . . . . 0.0 110.607 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.594 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 9.5 m-85 -59.52 -41.3 89.63 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.59 -49.83 75.97 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.329 -0.857 . . . . 0.0 109.558 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 144' ' ' MET . 93.5 mt-10 -69.02 -41.89 77.13 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.283 -0.885 . . . . 0.0 109.736 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.98 -47.93 84.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.636 -0.665 . . . . 0.0 111.176 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.17 -44.46 99.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.245 -1.534 . . . . 0.0 107.936 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -74.52 -21.92 59.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.158 -0.964 . . . . 0.0 111.124 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 140' ' ' GLU . 1.5 tmt? -58.21 -44.34 88.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.165 -0.959 . . . . 0.0 110.957 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -72.82 -7.05 48.92 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.043 -1.035 . . . . 0.0 113.464 -178.21 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.53 42.15 0.12 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 119.658 -1.901 . . . . 0.0 108.852 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 145' ' ' MET . . . -106.32 142.35 36.13 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 N--CA 1.493 1.708 0 O-C-N 121.035 -1.04 . . . . 0.0 109.034 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.486 ' H2 ' ' OE2' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--O 1.215 -0.724 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.702 ' CE ' HE22 ' A' ' 41' ' ' GLN . 93.1 mmm -98.8 19.61 14.57 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 109.795 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.465 ' N ' ' SD ' ' A' ' 51' ' ' MET . 63.2 t0 -53.11 -30.05 34.31 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.624 HG23 ' HB2' ' A' ' 84' ' ' GLU . 3.0 p -66.84 -26.2 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.479 -0.763 . . . . 0.0 110.449 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -57.77 -48.59 79.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.304 -1.497 . . . . 0.0 109.371 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.2 mtp -65.91 -41.83 90.96 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 120.957 -1.09 . . . . 0.0 109.338 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.71 -25.57 59.23 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.18 -0.95 . . . . 0.0 110.074 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -75.07 -5.38 75.78 Favored Glycine 0 N--CA 1.487 2.099 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 -178.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 4.1 mt -49.93 -48.85 51.56 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.223 -1.163 . . . . 0.0 109.824 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.658 ' H ' ' HZ3' ' A' ' 75' ' ' LYS . 80.2 p -73.03 -23.07 60.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.058 -1.026 . . . . 0.0 110.917 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -93.67 0.53 56.51 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.96 -1.087 . . . . 0.0 110.53 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.25 85.55 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.035 -1.041 . . . . 0.0 109.884 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -129.04 -44.92 1.27 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.24 -0.912 . . . . 0.0 109.811 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 216' ' ' VAL . 99.2 mt-10 -70.1 -23.76 63.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.232 -0.917 . . . . 0.0 109.773 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.452 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -59.31 -39.95 95.33 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.422 HG21 ' OE2' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -62.3 -0.5 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.777 -1.425 . . . . 0.0 109.532 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 213' ' ' GLU . 42.5 t -60.93 -38.17 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.253 -0.905 . . . . 0.0 109.914 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -54.76 -20.3 8.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 110.153 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -60.22 -40.11 89.03 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.858 -1.151 . . . . 0.0 109.301 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 66.77 144.13 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.268 -0.895 . . . . 0.0 109.43 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -86.46 2.31 48.27 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -0.917 . . . . 0.0 109.443 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -166.31 156.51 12.23 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.32 -0.862 . . . . 0.0 109.263 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.3 tp -82.39 143.21 31.37 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.173 -0.955 . . . . 0.0 108.821 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.1 p -108.34 157.28 18.52 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.664 0.745 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.74 -38.2 90.23 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.716 -0.615 . . . . 0.0 109.656 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.05 -35.18 77.83 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.301 -0.875 . . . . 0.0 110.743 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -59.07 -38.88 80.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.836 -1.165 . . . . 0.0 109.833 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.0 mt -60.33 -38.14 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.587 -1.32 . . . . 0.0 108.448 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.59 -34.93 74.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.33 -42.76 96.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.887 -1.133 . . . . 0.0 109.832 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -86.07 -13.83 46.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.063 -1.023 . . . . 0.0 108.869 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.99 -44.38 92.86 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.861 -1.149 . . . . 0.0 109.527 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.07 -46.0 89.37 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.079 -1.048 . . . . 0.0 108.296 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.69 74.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.486 -0.759 . . . . 0.0 110.056 179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -57.49 -47.4 82.0 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.037 -1.039 . . . . 0.0 111.451 -177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.7 m -59.69 -37.06 77.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.852 -1.155 . . . . 0.0 111.389 -177.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -39.77 71.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.77 -1.206 . . . . 0.0 110.382 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -67.49 -39.98 85.21 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.622 -1.298 . . . . 0.0 109.363 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -83.5 85.9 7.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.669 -1.269 . . . . 0.0 109.557 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.66 -34.84 76.43 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.54 -23.98 67.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.928 -1.107 . . . . 0.0 110.004 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 18.22 75.9 Favored Glycine 0 N--CA 1.497 2.749 0 O-C-N 120.553 -1.342 . . . . 0.0 110.113 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 p30 -91.45 4.79 51.65 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.306 -1.114 . . . . 0.0 109.863 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.57 8.21 87.91 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.1 p -135.75 148.22 48.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.335 -1.097 . . . . 0.0 109.143 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.8 mt -101.46 130.98 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -108.16 157.52 18.23 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 121.303 0.573 . . . . 0.0 110.221 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.1 p -55.26 -36.35 65.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.329 -0.857 . . . . 0.0 110.233 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -64.73 -41.85 95.63 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.036 -1.04 . . . . 0.0 109.729 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -41.08 91.91 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 111.638 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -57.66 4.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.888 -1.133 . . . . 0.0 110.768 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.18 -41.21 98.1 Favored Glycine 0 N--CA 1.485 1.944 0 C-N-CA 119.361 -1.4 . . . . 0.0 110.28 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.1 m -60.46 -46.64 89.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.978 -1.307 . . . . 0.0 109.422 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -76.57 -39.33 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 120.741 -1.224 . . . . 0.0 109.543 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.413 ' HG3' HE22 ' A' ' 41' ' ' GLN . 50.9 ttp -64.99 -34.06 77.54 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 120.901 -1.124 . . . . 0.0 108.81 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -58.02 -34.53 70.14 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.39 -0.819 . . . . 0.0 109.391 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.611 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.2 t -55.81 -37.26 68.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 109.362 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 ' CB ' HE21 ' A' ' 41' ' ' GLN . 0.5 OUTLIER -66.95 21.65 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.173 -0.954 . . . . 0.0 108.925 179.298 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.611 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.51 39.96 94.15 Favored Glycine 0 N--CA 1.483 1.806 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.544 HE21 ' CB ' ' A' ' 39' ' ' LEU . 36.6 mt-30 -112.38 154.66 25.41 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.565 -0.962 . . . . 0.0 109.621 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 17.9 p30 -141.64 69.46 25.42 Favored Pre-proline 0 C--N 1.293 -1.874 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.548 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.61 160.85 37.73 Favored 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.739 2.292 . . . . 0.0 112.716 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.1 p -102.97 167.73 9.65 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.714 0.768 . . . . 0.0 109.764 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.2 mp0 -59.98 -43.6 95.01 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.005 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.56 94.39 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.16 -0.962 . . . . 0.0 110.067 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.83 -45.85 87.71 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.88 -1.137 . . . . 0.0 109.916 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.14 -38.62 85.85 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -60.61 -46.05 91.72 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.898 -1.126 . . . . 0.0 109.624 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -61.27 -43.78 98.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 110.547 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mtp -58.46 -58.94 6.31 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.922 -1.111 . . . . 0.0 110.784 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.0 -37.44 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.301 -0.874 . . . . 0.0 110.517 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.82 -36.7 72.61 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.26 -0.9 . . . . 0.0 110.76 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -61.68 -21.35 64.37 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.928 -1.108 . . . . 0.0 111.649 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.2 p -125.62 21.51 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 121.099 -1.001 . . . . 0.0 111.19 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 68.0 t0 -88.45 100.67 13.23 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.805 -1.184 . . . . 0.0 108.807 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.4 -24.25 17.43 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.254 -0.904 . . . . 0.0 110.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.515 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 28.5 p30 -91.62 -8.14 48.1 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.815 -1.178 . . . . 0.0 109.208 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 63.8 25.01 68.74 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.515 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 50.6 p30 -94.79 0.64 55.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.263 -1.139 . . . . 0.0 109.941 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.4 20.35 75.23 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.4 p -141.0 162.37 35.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.211 -1.17 . . . . 0.0 108.135 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.2 mt -102.33 123.49 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.835 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -98.87 160.8 14.01 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.535 -0.866 . . . . 0.0 109.262 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -52.12 16.0 Favored Pre-proline 0 C--N 1.301 -1.539 0 O-C-N 121.403 -0.811 . . . . 0.0 111.548 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -60.61 -38.49 71.91 Favored 'Trans proline' 0 N--CA 1.488 1.201 0 CA-C-N 119.907 1.003 . . . . 0.0 111.147 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.39 -45.11 92.61 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.5 -47.67 80.76 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.502 0.668 . . . . 0.0 111.599 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.04 -38.02 81.54 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.973 0.892 . . . . 0.0 109.464 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -64.33 -42.74 96.14 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.6 ttp -64.64 -42.31 95.54 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.99 -1.069 . . . . 0.0 109.486 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.2 mmm -60.51 -40.92 93.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 110.401 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.57 50.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.816 -1.177 . . . . 0.0 109.213 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -57.02 -20.11 22.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.39 -0.819 . . . . 0.0 110.287 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HZ2' ' HG3' ' B' ' 210' ' ' LYS . 87.5 tttt -57.6 -43.71 84.89 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.196 -0.94 . . . . 0.0 108.581 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -39.42 90.68 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.375 -0.828 . . . . 0.0 109.099 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -70.42 -24.63 62.95 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.001 -1.062 . . . . 0.0 109.482 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.8 t0 58.05 55.36 5.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.286 -0.884 . . . . 0.0 110.106 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.21 -69.77 0.74 Allowed 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.139 -0.975 . . . . 0.0 109.784 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -87.03 -17.86 31.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.869 -1.144 . . . . 0.0 108.805 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -49.32 -33.74 14.0 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.13 -43.5 98.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.945 -1.097 . . . . 0.0 108.828 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.62 -39.85 91.93 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' HB3' HG23 ' B' ' 203' ' ' VAL . 80.7 mm-40 -71.42 -35.7 71.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.182 -0.949 . . . . 0.0 109.701 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.31 -42.74 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.61 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mtm180 -67.42 -37.62 83.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.58 -1.325 . . . . 0.0 109.944 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' HG3' ' H3 ' ' B' ' 200' ' ' ACE . 52.8 tp10 -64.04 -39.31 93.8 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.969 -1.082 . . . . 0.0 109.885 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.99 -26.92 28.45 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.177 -0.952 . . . . 0.0 109.409 -178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.621 ' CG ' ' CZ ' ' A' ' 138' ' ' TYR . 27.1 t80 -55.57 -39.81 71.14 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -64.99 -39.84 94.06 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.454 -0.779 . . . . 0.0 110.538 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -39.44 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -71.81 -40.24 69.28 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.2 -0.938 . . . . 0.0 109.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -83.59 82.24 8.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.967 -1.083 . . . . 0.0 110.524 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -64.42 -39.17 93.33 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.594 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.441 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.7 m-20 -67.42 -28.97 68.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.161 -0.962 . . . . 0.0 110.401 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 13.03 83.68 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 16.4 p-10 -68.83 -9.25 50.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.132 -1.217 . . . . 0.0 109.468 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.77 3.05 71.41 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 69.6 m-85 -139.48 144.04 37.79 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.9 mp -96.63 129.47 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.013 -1.055 . . . . 0.0 109.486 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.3 p -106.04 165.7 11.03 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 121.97 0.89 . . . . 0.0 110.596 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.63 92.1 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.825 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.62 87.99 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.32 -1.488 . . . . 0.0 108.699 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 84.2 mt-10 -61.21 -40.94 95.86 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.066 -1.021 . . . . 0.0 109.755 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.41 -40.02 92.86 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.434 -0.791 . . . . 0.0 110.426 -179.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -62.07 -38.88 90.47 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.623 -1.298 . . . . 0.0 110.016 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -64.69 -61.19 2.34 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.277 -0.89 . . . . 0.0 112.484 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.49 -41.21 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.136 -0.978 . . . . 0.0 109.729 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.442 ' SD ' HD23 ' A' ' 105' ' ' LEU . 99.4 mtp -63.36 -38.43 91.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.944 -1.097 . . . . 0.0 109.984 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -65.86 -40.29 91.54 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.175 -0.953 . . . . 0.0 111.011 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.42 -23.21 67.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.128 -0.982 . . . . 0.0 111.655 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.9 mt -87.35 8.86 22.57 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.676 -1.265 . . . . 0.0 110.1 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.33 11.1 84.63 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -105.32 138.81 40.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.626 -0.926 . . . . 0.0 109.091 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -143.58 120.4 11.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.425 -0.797 . . . . 0.0 109.754 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -113.8 -177.1 3.05 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.5 p -100.79 162.14 13.11 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.302 -0.874 . . . . 0.0 109.034 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.45 -40.22 82.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.149 -0.969 . . . . 0.0 110.127 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.68 -39.8 92.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.995 . . . . 0.0 109.338 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.13 -43.84 94.05 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.19 -0.944 . . . . 0.0 109.838 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -71.69 -37.61 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -60.47 -45.02 95.23 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.121 -0.987 . . . . 0.0 109.013 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.45 -36.68 84.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 28.2 ttt -57.87 -41.45 82.51 Favored 'General case' 0 C--N 1.307 -1.256 0 O-C-N 120.979 -1.076 . . . . 0.0 108.483 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -63.83 -41.51 92.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -59.8 -46.44 89.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.204 -0.935 . . . . 0.0 110.614 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.39 -39.03 85.59 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.097 -1.002 . . . . 0.0 111.644 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.22 -7.91 59.21 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.701 -1.249 . . . . 0.0 110.458 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.12 92.45 5.65 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.986 -1.071 . . . . 0.0 110.428 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.86 -45.13 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.285 -0.885 . . . . 0.0 111.722 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 51.4 p30 -94.32 -25.84 16.82 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.935 -1.103 . . . . 0.0 110.282 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 110.82 -113.25 3.42 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 107.559 -2.216 . . . . 0.0 107.559 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER 62.24 -20.06 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.056 -1.261 . . . . 0.0 110.283 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.59 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 81.17 3.86 90.59 Favored Glycine 0 N--CA 1.494 2.502 0 O-C-N 120.783 -1.198 . . . . 0.0 110.755 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.575 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 40.0 mt-30 -142.11 -178.56 5.77 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.062 -1.258 . . . . 0.0 109.317 -179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -112.07 126.58 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.82 176.61 5.08 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.987 0.898 . . . . 0.0 110.477 -178.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.621 ' CZ ' ' CG ' ' A' ' 89' ' ' PHE . 5.7 m-85 -58.21 -38.81 77.52 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.19 -49.34 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.486 -0.759 . . . . 0.0 109.81 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -69.89 -39.81 76.04 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.357 -0.839 . . . . 0.0 109.207 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.66 -46.64 84.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.897 -0.502 . . . . 0.0 110.798 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.7 -43.44 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.476 0 O-C-N 119.939 -1.726 . . . . 0.0 108.039 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -63.02 -40.35 97.49 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.486 -0.758 . . . . 0.0 110.262 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.0 ttt -61.39 -47.89 83.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 110.45 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.9 mtp -71.77 -39.32 70.04 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.191 -0.943 . . . . 0.0 111.818 -178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.76 57.3 0.3 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.674 -1.266 . . . . 0.0 109.376 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.16 139.61 40.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.183 -0.948 . . . . 0.0 109.473 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.302 -179.913 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.468 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.452 ' SD ' ' CG ' ' A' ' 41' ' ' GLN . 66.9 mtt -85.21 -4.97 59.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.421 -0.799 . . . . 0.0 109.864 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 38.1 p-10 -59.41 -37.36 77.83 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.857 -1.152 . . . . 0.0 109.319 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 3.4 p -61.04 -7.02 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.481 -0.762 . . . . 0.0 110.253 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.08 -47.83 71.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.393 -1.442 . . . . 0.0 109.942 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.45 -45.92 88.65 Favored 'General case' 0 N--CA 1.512 2.66 0 O-C-N 120.575 -1.328 . . . . 0.0 110.828 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -71.06 -39.66 72.1 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.802 -1.186 . . . . 0.0 110.132 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -70.8 -0.23 32.1 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' B' ' 207' ' ' GLY . 0.5 OUTLIER -36.1 -52.29 0.77 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.838 -0.801 . . . . 0.0 109.642 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.6 m -68.48 -38.45 81.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.201 -0.937 . . . . 0.0 109.867 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' B' ' 207' ' ' GLY . 60.5 mtpt -87.38 3.13 48.24 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.316 -0.865 . . . . 0.0 110.848 -178.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -59.71 -37.24 78.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.852 -1.155 . . . . 0.0 109.764 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.447 ' O ' HG12 ' B' ' 215' ' ' VAL . 25.7 pttm -156.97 -32.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.697 -1.252 . . . . 0.0 109.769 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -65.27 -37.87 88.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.244 -0.91 . . . . 0.0 109.615 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.25 -39.8 96.49 Favored Glycine 0 N--CA 1.502 3.099 0 C-N-CA 120.164 -1.017 . . . . 0.0 110.715 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.447 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.8 OUTLIER -54.93 -13.88 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 120.611 -1.523 . . . . 0.0 109.755 -179.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' B' ' 218' ' ' ALA . 55.3 t -61.37 -39.83 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.693 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -63.25 8.32 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.132 -0.98 . . . . 0.0 110.342 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.09 -40.06 88.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.973 -1.079 . . . . 0.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -175.34 175.66 2.15 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.166 -0.959 . . . . 0.0 109.469 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -89.07 4.82 47.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.223 -0.923 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -61.71 -42.4 98.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.305 -0.872 . . . . 0.0 109.34 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.4 tp -79.3 142.72 35.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.166 -0.959 . . . . 0.0 108.9 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -108.39 155.74 20.22 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 121.689 0.756 . . . . 0.0 110.639 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -66.6 -40.8 89.03 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.604 -0.685 . . . . 0.0 110.236 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.9 mp0 -63.33 -38.72 92.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.164 -0.96 . . . . 0.0 110.455 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -39.88 91.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.059 -1.026 . . . . 0.0 109.944 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.83 -38.83 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -33.78 73.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.922 -1.111 . . . . 0.0 109.526 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.746 -1.221 . . . . 0.0 110.406 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.68 -21.23 28.45 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.076 -1.015 . . . . 0.0 110.173 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -62.78 -43.35 99.04 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.694 -1.254 . . . . 0.0 108.942 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.43 -46.31 89.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.219 -0.926 . . . . 0.0 108.821 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.12 86.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.19 -0.944 . . . . 0.0 109.337 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.19 -45.49 87.49 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 111.054 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -59.76 -37.01 77.8 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.003 -1.061 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.23 -41.46 68.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.676 -1.265 . . . . 0.0 110.207 -177.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -67.8 -38.07 82.84 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.753 -1.217 . . . . 0.0 109.62 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -84.5 84.36 7.68 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.703 -1.248 . . . . 0.0 110.077 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -62.81 -26.77 68.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.125 -0.984 . . . . 0.0 110.391 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.15 -26.99 69.07 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.938 -1.101 . . . . 0.0 109.92 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.29 13.61 79.64 Favored Glycine 0 N--CA 1.496 2.672 0 O-C-N 120.529 -1.357 . . . . 0.0 110.357 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -93.92 5.83 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.298 -1.119 . . . . 0.0 109.84 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.78 11.99 84.91 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.1 p -137.2 148.5 46.57 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.322 -1.105 . . . . 0.0 109.026 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.5 mt -105.32 130.44 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.9 p -106.25 156.54 18.37 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -54.67 -36.33 64.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.261 -0.899 . . . . 0.0 110.201 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -65.46 -41.98 92.82 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.978 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.611 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -56.14 6.64 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.059 -1.026 . . . . 0.0 110.137 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.54 97.11 Favored Glycine 0 N--CA 1.486 2.027 0 C-N-CA 119.191 -1.48 . . . . 0.0 109.868 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.464 ' N ' ' NH2' ' A' ' 37' ' ' ARG . 93.9 m -59.23 -47.34 85.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.756 -1.438 . . . . 0.0 109.518 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.76 -38.24 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 120.67 -1.269 . . . . 0.0 109.388 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 41.9 ttp -65.6 -35.89 82.14 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.019 -1.051 . . . . 0.0 109.217 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' NH2' ' N ' ' A' ' 34' ' ' THR . 68.1 mtm-85 -57.21 -30.65 64.74 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.189 -0.945 . . . . 0.0 109.264 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 40' ' ' GLY . 47.1 t -56.85 -37.4 71.24 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 18.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 66.48 43.54 92.2 Favored Glycine 0 N--CA 1.488 2.108 0 O-C-N 121.289 -0.882 . . . . 0.0 111.385 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.624 ' HG3' ' H3 ' ' B' ' 200' ' ' ACE . 34.2 mm-40 -113.05 153.92 27.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.353 -1.086 . . . . 0.0 110.038 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -140.0 68.61 35.25 Favored Pre-proline 0 C--N 1.298 -1.638 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -78.65 164.45 25.79 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 123.168 2.578 . . . . 0.0 113.031 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.4 p -104.02 163.93 12.05 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.705 0.764 . . . . 0.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -59.77 -42.65 93.79 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.011 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.33 93.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.091 -1.005 . . . . 0.0 110.298 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.11 -46.86 85.33 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.836 -1.165 . . . . 0.0 110.249 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.98 -36.69 80.48 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.179 -0.951 . . . . 0.0 110.203 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.37 -47.58 84.89 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.942 -1.099 . . . . 0.0 109.882 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' OD1' ' OE2' ' A' ' 54' ' ' GLU . 67.0 t0 -60.0 -43.61 95.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.18 -0.95 . . . . 0.0 109.873 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.8 mtt -63.92 -53.69 46.45 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.127 -0.983 . . . . 0.0 110.67 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -38.83 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 110.422 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -59.7 -39.63 85.23 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.379 -0.826 . . . . 0.0 111.537 -178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' OE2' ' OD1' ' A' ' 50' ' ' ASP . 87.9 mt-10 -61.29 -40.07 92.76 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.036 -1.04 . . . . 0.0 112.255 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.49 3.57 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.812 -1.18 . . . . 0.0 110.474 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -79.41 108.41 12.91 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.016 -1.053 . . . . 0.0 109.068 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.37 -24.66 17.28 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 119.527 -0.869 . . . . 0.0 111.056 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 41.6 p30 -91.71 -5.31 53.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.807 -1.183 . . . . 0.0 109.648 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.88 27.25 66.54 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -92.34 -0.01 57.41 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.182 -1.187 . . . . 0.0 109.696 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.35 15.72 78.91 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.416 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.4 p -141.28 162.77 34.7 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.181 -1.187 . . . . 0.0 108.061 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.0 mt -102.56 121.78 54.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 39.0 m-20 -90.35 154.0 20.01 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 118.992 -1.083 . . . . 0.0 108.781 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -47.51 -47.44 59.48 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.221 -0.924 . . . . 0.0 111.684 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.72 -37.55 86.58 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 CA-C-N 121.02 1.4 . . . . 0.0 110.905 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.31 -44.28 96.87 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -60.84 -45.07 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.363 0.602 . . . . 0.0 109.973 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.0 -39.37 78.09 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 122.052 0.93 . . . . 0.0 109.088 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -61.55 -45.51 93.85 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.8 ttp -62.85 -40.27 96.92 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.205 -0.934 . . . . 0.0 109.832 -179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.94 -42.16 93.42 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.211 -0.93 . . . . 0.0 111.255 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.47 -22.78 50.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.838 -1.164 . . . . 0.0 109.692 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 78' ' ' ASP . 26.7 tpt180 -58.43 -33.32 69.55 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.484 -0.76 . . . . 0.0 110.512 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' CD ' ' HZ2' ' B' ' 206' ' ' LYS . 87.5 tttt -57.93 -46.91 84.29 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.319 -0.953 . . . . 0.0 109.122 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -69.2 -37.97 78.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.211 -0.931 . . . . 0.0 110.728 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.15 -6.28 48.25 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.851 -1.156 . . . . 0.0 110.051 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 74' ' ' ARG . 12.9 t0 -170.39 -178.95 2.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.982 -1.074 . . . . 0.0 109.704 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.25 82.61 2.02 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.497 0.665 . . . . 0.0 109.894 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -89.11 -0.99 57.89 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB2' ' HZ1' ' B' ' 210' ' ' LYS . 74.7 m -77.03 5.98 7.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -57.17 -36.02 70.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.87 -41.23 97.61 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.36 -37.28 84.93 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.305 -0.872 . . . . 0.0 109.121 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.67 -47.91 87.43 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -68.05 -39.77 82.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.663 -1.273 . . . . 0.0 110.454 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -70.96 -37.48 72.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.918 -1.114 . . . . 0.0 110.299 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.42 -36.75 74.08 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.351 -0.843 . . . . 0.0 110.727 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 31.1 t80 -57.43 -39.52 76.43 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.943 -1.098 . . . . 0.0 109.032 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -62.56 -40.05 95.6 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.562 -0.712 . . . . 0.0 110.284 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -71.87 -40.84 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.206 -0.934 . . . . 0.0 109.502 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -72.79 -41.81 64.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.337 -0.852 . . . . 0.0 110.104 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -81.19 82.67 7.02 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.029 -1.044 . . . . 0.0 110.221 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.78 -42.98 94.67 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.451 -0.78 . . . . 0.0 111.36 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.9 p30 -68.96 -27.01 65.34 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.85 -1.156 . . . . 0.0 110.945 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.542 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 74.86 16.58 80.36 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.449 -1.357 . . . . 0.0 110.003 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.525 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 44.1 p-10 -72.12 -5.31 34.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.958 -1.319 . . . . 0.0 108.953 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.57 -0.04 82.52 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.664 -1.775 . . . . 0.0 108.664 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 49.8 m-85 -135.66 143.27 45.38 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.53 128.09 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.605 -1.309 . . . . 0.0 109.427 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 p -105.53 166.75 10.22 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.88 0.848 . . . . 0.0 110.639 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.21 91.55 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.826 -0.546 . . . . 0.0 111.833 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.07 -37.16 83.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.366 -1.459 . . . . 0.0 108.483 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -61.67 -40.93 96.68 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.25 -0.906 . . . . 0.0 110.098 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -67.63 -41.31 84.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.425 -0.797 . . . . 0.0 111.369 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -64.09 -37.09 86.19 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.228 -1.545 . . . . 0.0 109.959 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -65.02 -60.6 2.85 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.87 . . . . 0.0 112.651 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.08 -40.19 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.012 -1.055 . . . . 0.0 109.508 -178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.439 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.8 mtp -62.48 -38.6 90.49 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.085 -1.009 . . . . 0.0 110.063 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.4 m -65.11 -40.23 94.24 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 110.832 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.36 -22.31 66.8 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.128 -0.982 . . . . 0.0 111.014 -178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.7 mt -90.57 8.06 36.03 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.934 -1.104 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.13 14.02 82.28 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -104.42 136.08 44.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.54 -0.976 . . . . 0.0 109.157 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -142.47 120.08 11.79 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.417 -0.802 . . . . 0.0 109.981 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.35 -176.74 2.97 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.5 p -101.2 162.78 12.65 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.202 -0.937 . . . . 0.0 109.209 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.2 -38.85 80.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.957 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -62.37 -40.12 95.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.076 -1.015 . . . . 0.0 109.418 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.09 -44.25 92.89 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.131 -0.981 . . . . 0.0 109.779 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -73.13 -37.87 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.97 -44.96 95.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.193 -0.942 . . . . 0.0 109.795 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.12 -38.11 89.87 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.167 -0.958 . . . . 0.0 109.679 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.2 ttt -58.79 -40.62 84.58 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.031 -1.043 . . . . 0.0 109.173 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.83 -44.01 89.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.261 -0.899 . . . . 0.0 109.252 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.73 -47.46 85.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.697 -1.252 . . . . 0.0 110.768 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.61 -39.91 73.49 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.995 -1.066 . . . . 0.0 112.021 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.75 -18.58 56.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.861 -1.149 . . . . 0.0 111.571 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -68.8 97.81 0.86 Allowed 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.929 -1.107 . . . . 0.0 110.757 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.65 -46.51 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.493 -0.754 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.9 p30 -72.16 -24.97 61.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.157 -0.964 . . . . 0.0 108.475 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.573 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 87.19 16.37 60.92 Favored Glycine 0 N--CA 1.48 1.571 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 52.6 p-10 -80.56 -5.58 56.98 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.34 -1.094 . . . . 0.0 110.201 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.66 0.53 84.7 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 119.711 -1.233 . . . . 0.0 110.17 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -137.95 156.61 47.68 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 121.63 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.051 -1.031 . . . . 0.0 108.603 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.602 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -106.74 -177.07 3.26 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 121.966 0.888 . . . . 0.0 110.309 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.622 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.0 m-85 -60.68 -40.49 92.37 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.94 -50.81 72.29 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.342 -0.849 . . . . 0.0 109.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -68.08 -41.08 82.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.251 -0.906 . . . . 0.0 109.295 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -64.41 -46.56 82.72 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.853 -0.529 . . . . 0.0 111.2 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.4 -39.48 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.288 -1.508 . . . . 0.0 108.664 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.05 -38.64 86.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.618 -0.676 . . . . 0.0 112.361 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.0 mmt -65.52 -43.71 89.2 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 120.497 -1.377 . . . . 0.0 110.664 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -38.92 70.15 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.995 -1.066 . . . . 0.0 111.333 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.19 50.49 0.76 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.741 -1.224 . . . . 0.0 109.228 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.11 143.36 35.36 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.373 -0.829 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.3 pttt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.255 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.624 ' H3 ' ' HG3' ' A' ' 41' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.718 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.61 ' H ' ' HB3' ' B' ' 204' ' ' PHE . 25.3 mmt -143.39 157.53 44.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.575 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 42.6 p-10 -55.82 -40.35 72.64 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.537 -1.352 . . . . 0.0 109.031 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.575 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.7 p -78.78 -26.44 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.042 -1.036 . . . . 0.0 110.42 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.61 ' HB3' ' H ' ' B' ' 201' ' ' MET . 0.0 OUTLIER -49.3 -30.13 6.99 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.855 -1.153 . . . . 0.0 110.634 -178.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.534 ' N ' ' CD1' ' B' ' 204' ' ' PHE . 24.4 ptp -66.18 -27.17 67.8 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.585 -1.322 . . . . 0.0 108.647 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.451 ' HZ2' ' CD ' ' A' ' 75' ' ' LYS . 6.1 tmtt? -75.9 -30.36 58.76 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.41 -17.98 41.76 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.369 -1.493 . . . . 0.0 109.369 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.86 -44.07 49.43 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.145 -1.209 . . . . 0.0 108.867 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 47.9 t -62.38 -44.77 95.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.396 -0.815 . . . . 0.0 110.62 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.447 ' HZ1' ' HB2' ' A' ' 81' ' ' SER . 98.1 mttt -62.33 -42.1 99.1 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.981 -1.074 . . . . 0.0 110.412 -178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -72.11 -21.02 61.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.115 -0.99 . . . . 0.0 109.418 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.716 ' O ' HG23 ' B' ' 216' ' ' VAL . 88.0 tttt -97.76 -73.97 0.59 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -67.42 -40.71 85.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 110.172 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.78 -43.28 99.17 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 119.628 -1.272 . . . . 0.0 110.42 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.29 -21.44 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.695 -1.473 . . . . 0.0 110.48 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 212' ' ' LYS . 51.6 t -64.62 -36.76 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.159 -0.963 . . . . 0.0 110.821 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -56.71 -37.49 71.02 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.152 -0.967 . . . . 0.0 111.098 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.65 85.81 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.573 -1.329 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -145.74 -86.25 0.11 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.426 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.934 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -86.46 -4.25 59.14 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.229 -0.919 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -130.07 146.05 51.71 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.663 -0.648 . . . . 0.0 109.26 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 4' ' ' LEU . 19.0 tp -90.9 142.85 27.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.354 -0.841 . . . . 0.0 108.88 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 p -108.58 155.75 20.31 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.707 0.765 . . . . 0.0 110.345 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.29 -37.24 84.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.706 -0.621 . . . . 0.0 109.633 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.21 -33.0 74.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.213 -0.929 . . . . 0.0 109.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -58.33 -39.57 79.8 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.193 -0.942 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.3 mt -59.79 -37.57 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.776 -1.203 . . . . 0.0 108.614 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.11 75.08 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.952 -1.092 . . . . 0.0 110.481 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.67 -44.61 96.63 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.009 -1.057 . . . . 0.0 110.111 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -86.66 -13.51 45.35 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.018 -1.051 . . . . 0.0 108.885 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -62.26 -46.84 87.02 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.883 -1.136 . . . . 0.0 109.48 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -59.81 -47.18 86.74 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.227 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -37.34 86.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.278 -0.889 . . . . 0.0 109.309 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.44 -46.74 83.24 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.107 -0.996 . . . . 0.0 110.886 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.6 t -60.01 -39.42 85.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.038 -1.039 . . . . 0.0 111.238 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.53 -42.04 70.42 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.729 -1.232 . . . . 0.0 110.489 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -67.09 -39.53 86.8 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.597 -1.315 . . . . 0.0 108.98 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OE2' ' A' ' 31' ' ' GLU . 49.9 t0 -85.03 81.27 8.96 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.686 -1.259 . . . . 0.0 109.675 179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -64.61 -22.89 67.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.938 . . . . 0.0 109.925 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.39 -30.74 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.102 -0.999 . . . . 0.0 110.465 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.68 5.78 86.49 Favored Glycine 0 N--CA 1.496 2.661 0 O-C-N 120.334 -1.478 . . . . 0.0 110.253 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -87.48 2.2 51.28 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.26 -1.141 . . . . 0.0 109.824 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.86 7.45 88.56 Favored Glycine 0 N--CA 1.488 2.16 0 C-N-CA 119.814 -1.184 . . . . 0.0 110.383 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 66.7 p -134.98 148.8 50.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.184 -1.186 . . . . 0.0 108.873 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.6 mt -101.23 130.02 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.8 p -107.31 157.9 17.57 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.437 0.637 . . . . 0.0 109.84 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.8 p -56.01 -34.54 65.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.313 -0.867 . . . . 0.0 110.461 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.31 -40.52 90.0 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.041 -1.037 . . . . 0.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 37.0 mt-10 -66.06 -41.15 91.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.581 -0.699 . . . . 0.0 111.976 -178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -56.39 6.3 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.974 -1.079 . . . . 0.0 110.678 -177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.55 93.9 Favored Glycine 0 N--CA 1.485 1.924 0 C-N-CA 119.289 -1.434 . . . . 0.0 110.282 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.0 m -59.22 -46.66 87.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.672 -1.487 . . . . 0.0 108.976 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -78.01 -40.12 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.767 -1.208 . . . . 0.0 110.169 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.5 ttp -64.78 -35.26 80.5 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.641 -1.287 . . . . 0.0 109.583 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -59.27 -29.19 67.39 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.159 -0.963 . . . . 0.0 109.403 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.616 ' C ' ' H ' ' A' ' 40' ' ' GLY . 73.6 m -58.01 -34.71 70.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.219 -0.926 . . . . 0.0 108.777 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 21.82 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.264 -0.898 . . . . 0.0 108.926 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.616 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 41.05 98.17 Favored Glycine 0 N--CA 1.483 1.803 0 O-C-N 120.976 -1.078 . . . . 0.0 110.669 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' OE1' ' SD ' ' B' ' 201' ' ' MET . 35.6 mt-30 -119.96 157.13 29.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.601 -0.94 . . . . 0.0 109.373 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -142.27 74.27 20.81 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.512 -0.742 . . . . 0.0 109.823 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -76.24 162.37 34.01 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.652 2.234 . . . . 0.0 112.912 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.3 p -102.07 170.01 8.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 121.661 0.743 . . . . 0.0 110.113 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -60.1 -43.64 95.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.239 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.45 94.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.072 -1.017 . . . . 0.0 109.96 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.64 ' OE2' ' H2 ' ' B' ' 200' ' ' ACE . 82.1 tt0 -63.62 -46.72 84.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.704 -1.247 . . . . 0.0 109.957 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -67.12 -39.71 86.7 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.323 -0.86 . . . . 0.0 110.342 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.714 HE22 ' ND2' ' A' ' 53' ' ' ASN . 10.7 tm0? -64.99 -41.78 95.11 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.0 -1.062 . . . . 0.0 108.437 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -67.14 -42.33 84.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.494 -0.754 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' B' ' 202' ' ' ASP . 6.8 mtm -60.94 -50.28 74.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.056 -1.027 . . . . 0.0 110.654 -178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.19 -33.0 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.934 -1.104 . . . . 0.0 109.985 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.714 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.1 m-20 -58.27 -26.49 63.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.001 -1.062 . . . . 0.0 110.34 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.19 -21.83 65.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.078 -1.014 . . . . 0.0 110.615 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -134.26 25.95 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.277 -0.889 . . . . 0.0 111.719 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -91.3 104.12 16.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.727 -1.233 . . . . 0.0 109.104 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.64 -24.04 18.04 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.128 -0.982 . . . . 0.0 110.458 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 30.5 p30 -92.19 -8.22 46.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.864 -1.148 . . . . 0.0 109.223 179.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.516 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 64.05 24.94 69.06 Favored Glycine 0 N--CA 1.488 2.158 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p-10 -95.28 0.95 54.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.31 -1.112 . . . . 0.0 110.033 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.98 22.04 75.65 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 66.8 p -140.73 161.24 38.24 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.12 125.07 61.76 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.831 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -99.89 160.19 14.5 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.609 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.32 -53.01 11.96 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.571 -0.706 . . . . 0.0 111.631 -177.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.63 -37.47 68.99 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 CA-C-N 120.216 1.113 . . . . 0.0 111.111 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.33 -45.17 92.51 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.2 -48.02 81.85 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.383 0.611 . . . . 0.0 111.71 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.72 -38.61 85.65 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 121.831 0.824 . . . . 0.0 109.545 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.5 m -62.26 -43.23 99.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.0 ttp -63.4 -39.79 95.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.158 -0.963 . . . . 0.0 109.563 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -60.27 -42.35 95.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.832 -1.168 . . . . 0.0 110.445 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.8 -23.63 45.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.814 -1.179 . . . . 0.0 108.785 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -59.64 -38.33 81.11 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.61 -0.681 . . . . 0.0 109.936 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -59.28 -41.17 88.27 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 70.7 mtm -62.22 -36.95 83.53 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.518 -0.739 . . . . 0.0 109.438 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.83 -2.59 57.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.851 -1.155 . . . . 0.0 110.193 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 53.62 43.9 30.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.997 -1.064 . . . . 0.0 110.069 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.523 ' C ' ' H ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -93.74 91.38 6.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.31 -0.869 . . . . 0.0 108.737 179.656 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.1 t0 75.81 -34.27 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.78 -1.2 . . . . 0.0 108.242 -178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 79' ' ' THR . 90.7 p -57.84 -21.19 41.29 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.1 pp20? -73.75 -35.92 65.08 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 119.425 -0.91 . . . . 0.0 108.705 178.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 88.5 tt0 -52.18 -29.8 24.01 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.607 -0.683 . . . . 0.0 109.95 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' B' ' 203' ' ' VAL . 26.8 mp0 -62.38 -15.47 48.93 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.38 -0.825 . . . . 0.0 109.506 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.82 -41.34 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.163 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -67.02 -37.6 84.43 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.73 -1.231 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.25 -39.69 93.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.766 -1.209 . . . . 0.0 109.743 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -28.84 34.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.125 -0.984 . . . . 0.0 109.596 -178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.62 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 26.8 t80 -59.33 -40.53 86.6 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.063 -1.023 . . . . 0.0 109.005 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -63.69 -39.92 95.51 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.604 -0.685 . . . . 0.0 110.434 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 t -74.02 -41.56 52.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.142 -0.974 . . . . 0.0 109.639 -178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -71.76 -40.78 69.08 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.156 -0.965 . . . . 0.0 110.07 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -83.08 84.77 7.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.993 -1.067 . . . . 0.0 110.462 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.25 -39.76 93.1 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.656 -0.653 . . . . 0.0 111.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.435 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.66 -29.59 68.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.98 -1.075 . . . . 0.0 110.832 -177.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.09 13.45 81.08 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.491 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 28.5 p-10 -71.33 -5.54 33.24 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.04 -1.271 . . . . 0.0 109.297 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.06 -1.81 80.79 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 108.439 -1.864 . . . . 0.0 108.439 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 65.7 m-85 -135.06 143.8 46.89 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.93 130.49 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 120.894 -1.129 . . . . 0.0 109.947 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 76.6 p -106.87 165.1 11.58 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.123 0.964 . . . . 0.0 110.553 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.02 88.56 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.897 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.8 83.5 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.353 -1.467 . . . . 0.0 108.732 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 73.5 mt-10 -61.22 -40.18 93.04 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.248 -0.907 . . . . 0.0 110.196 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -66.92 -38.08 85.54 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.27 -0.894 . . . . 0.0 111.461 -178.454 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -65.13 -35.75 82.09 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.163 -1.586 . . . . 0.0 110.252 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.21 -62.12 1.82 Allowed 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.261 -0.899 . . . . 0.0 112.864 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.65 -39.97 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.013 -1.054 . . . . 0.0 109.069 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.463 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.3 mtp -63.16 -39.3 94.27 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.996 -1.065 . . . . 0.0 110.18 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.7 m -66.7 -40.54 88.52 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.139 -0.976 . . . . 0.0 111.478 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.0 -21.76 66.64 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.028 -1.045 . . . . 0.0 111.501 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.8 mt -92.67 10.43 30.65 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.978 -1.076 . . . . 0.0 110.07 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.16 12.79 81.94 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -102.37 127.45 49.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.486 -1.008 . . . . 0.0 108.994 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -136.35 119.45 16.54 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.484 -0.76 . . . . 0.0 109.229 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.7 mp -116.35 -177.12 3.1 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -101.25 161.86 13.31 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 109.24 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.8 p-10 -58.39 -37.46 75.34 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.066 . . . . 0.0 110.253 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 70.7 mm-40 -62.97 -40.38 97.53 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.034 -1.041 . . . . 0.0 109.17 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.86 -43.75 91.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.265 -0.897 . . . . 0.0 109.675 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.8 t -72.61 -35.4 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -59.74 -43.21 94.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.034 -1.041 . . . . 0.0 109.291 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.91 -37.63 88.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.238 -0.914 . . . . 0.0 110.307 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 mtt -53.05 -39.89 63.57 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.035 -1.041 . . . . 0.0 109.12 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -67.04 -41.66 87.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.405 -0.809 . . . . 0.0 109.825 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.13 -47.25 85.96 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.805 -1.185 . . . . 0.0 110.596 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -65.07 -41.41 95.08 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.125 -0.985 . . . . 0.0 111.925 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.88 -7.95 56.49 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.837 -1.164 . . . . 0.0 111.677 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.1 88.79 4.82 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.471 -1.393 . . . . 0.0 110.203 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.39 -44.73 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.621 -0.674 . . . . 0.0 111.412 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.9 p30 -78.1 -23.38 47.97 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.022 -1.049 . . . . 0.0 109.125 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.57 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.91 23.89 58.85 Favored Glycine 0 N--CA 1.482 1.756 0 C-N-CA 119.532 -1.318 . . . . 0.0 109.824 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 44.5 p30 -78.12 -11.19 59.9 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.378 -1.072 . . . . 0.0 110.417 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.85 -11.18 71.3 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.438 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 10.0 mp0 -130.83 162.68 29.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.28 -1.13 . . . . 0.0 108.604 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -98.29 123.8 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.584 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.2 -178.86 3.72 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-O 121.893 0.854 . . . . 0.0 110.56 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.62 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 7.1 m-85 -59.42 -39.86 84.82 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -60.63 -50.54 73.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.449 -0.782 . . . . 0.0 109.839 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -67.71 -40.76 84.27 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.099 -1.001 . . . . 0.0 109.245 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -63.5 -47.22 82.63 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.8 -0.563 . . . . 0.0 110.987 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.53 -42.91 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.469 0 O-C-N 119.864 -1.772 . . . . 0.0 107.971 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -62.9 -39.78 95.55 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.423 -0.798 . . . . 0.0 110.244 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 ttt -61.2 -46.75 89.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.121 -0.987 . . . . 0.0 110.47 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 147' ' ' ALA . 23.8 mtp -71.37 -38.6 71.53 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.243 -0.911 . . . . 0.0 112.207 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.37 56.27 0.24 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.594 -1.316 . . . . 0.0 109.558 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 145' ' ' MET . . . -106.64 141.04 38.55 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.198 -0.938 . . . . 0.0 109.5 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.345 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.64 ' H2 ' ' OE2' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--O 1.215 -0.713 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.498 ' SD ' ' OE1' ' A' ' 41' ' ' GLN . 18.6 mmt -101.2 20.7 15.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.488 -0.757 . . . . 0.0 109.373 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.568 ' N ' ' SD ' ' A' ' 51' ' ' MET . 64.6 t0 -51.24 -32.55 24.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.898 -1.126 . . . . 0.0 108.227 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 84' ' ' GLU . 5.5 p -67.48 -27.43 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.233 -0.917 . . . . 0.0 110.268 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -58.37 -49.73 76.18 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.538 -1.351 . . . . 0.0 109.738 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 98.6 mtp -68.39 -41.02 81.15 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.861 -1.149 . . . . 0.0 109.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.87 -22.77 55.84 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.28 -0.888 . . . . 0.0 110.422 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' B' ' 203' ' ' VAL . . . -76.26 -2.29 72.72 Favored Glycine 0 N--CA 1.488 2.118 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 8.0 mt -55.69 -50.86 69.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.124 -1.221 . . . . 0.0 110.139 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.475 ' O ' ' N ' ' B' ' 213' ' ' GLU . 42.1 t -65.01 -45.25 86.3 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.868 -1.145 . . . . 0.0 110.332 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -61.99 -40.96 97.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.313 -0.867 . . . . 0.0 109.805 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -72.67 -21.17 61.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.115 -0.99 . . . . 0.0 109.58 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.866 ' O ' HG23 ' B' ' 216' ' ' VAL . 88.0 tttt -106.97 -71.6 0.75 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.453 -0.779 . . . . 0.0 109.889 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' B' ' 209' ' ' SER . 88.7 tt0 -62.38 -46.32 89.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.09 -1.006 . . . . 0.0 110.449 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -62.74 -43.92 98.25 Favored Glycine 0 N--CA 1.498 2.8 0 C-N-CA 119.649 -1.263 . . . . 0.0 110.563 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -22.59 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.649 -1.5 . . . . 0.0 110.434 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 212' ' ' LYS . 54.3 t -61.45 -41.15 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 120.857 -1.152 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -69.87 29.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.068 -1.02 . . . . 0.0 109.697 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' B' ' 216' ' ' VAL . . . -60.77 -40.15 91.46 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.118 -0.989 . . . . 0.0 109.454 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -176.22 110.77 0.1 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.459 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.24 -11.25 60.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -0.897 . . . . 0.0 109.256 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -118.57 128.19 54.32 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -132.22 148.12 52.44 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.9 p -107.33 156.8 18.51 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-O 121.933 0.873 . . . . 0.0 111.36 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.67 -35.72 76.94 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.282 0.563 . . . . 0.0 109.756 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.91 -39.7 86.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.259 -0.9 . . . . 0.0 109.952 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -63.03 -42.51 99.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.063 . . . . 0.0 110.216 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.07 -45.8 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.661 -1.274 . . . . 0.0 109.925 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.103 -0.998 . . . . 0.0 109.975 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -62.19 -43.3 99.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.932 -1.105 . . . . 0.0 110.775 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -87.9 -27.19 22.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.909 -1.119 . . . . 0.0 110.658 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.52 -44.98 95.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.967 -1.083 . . . . 0.0 109.238 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -60.42 -46.88 88.44 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.32 -0.862 . . . . 0.0 109.031 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -34.58 73.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.383 -0.823 . . . . 0.0 109.707 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 80.0 t80 -58.11 -46.88 84.79 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.169 -0.957 . . . . 0.0 111.537 -178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -59.67 -36.7 76.96 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.896 -1.127 . . . . 0.0 111.116 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -40.95 72.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.707 -1.246 . . . . 0.0 110.127 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -66.09 -40.01 90.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.781 -1.199 . . . . 0.0 109.314 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD2' ' N ' ' A' ' 26' ' ' THR . 52.7 t0 -84.64 80.99 9.06 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.621 -1.3 . . . . 0.0 109.712 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.08 -20.86 64.46 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.044 -1.035 . . . . 0.0 109.177 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -63.14 -27.52 69.43 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.581 -0.699 . . . . 0.0 109.878 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 9.28 68.94 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -92.77 4.02 54.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.22 -1.165 . . . . 0.0 109.758 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.08 10.53 86.21 Favored Glycine 0 N--CA 1.488 2.139 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 81.9 p -135.87 146.85 47.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.354 -1.086 . . . . 0.0 108.844 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 79.4 mt -104.33 129.45 56.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.783 0.801 . . . . 0.0 108.997 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.8 p -105.58 157.37 17.44 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.1 p -54.64 -36.19 64.29 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.094 -1.004 . . . . 0.0 110.232 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -66.42 -40.7 89.7 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.051 -1.031 . . . . 0.0 110.057 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.8 -42.03 91.18 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.274 -0.891 . . . . 0.0 111.186 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD21 ' SD ' ' B' ' 205' ' ' MET . 0.3 OUTLIER -70.39 -55.06 9.99 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -178.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.94 -40.42 96.87 Favored Glycine 0 N--CA 1.486 1.974 0 C-N-CA 119.264 -1.446 . . . . 0.0 109.781 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -58.78 -46.51 87.35 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.667 -1.49 . . . . 0.0 109.2 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -77.3 -39.96 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.671 -1.268 . . . . 0.0 109.887 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.9 ttp -65.14 -37.59 87.91 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.598 -1.314 . . . . 0.0 109.205 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -59.48 -34.39 72.51 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.0 109.092 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.632 ' C ' ' H ' ' A' ' 40' ' ' GLY . 39.9 t -49.82 -34.89 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.196 -0.94 . . . . 0.0 108.775 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 20.54 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.632 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.32 46.55 94.08 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 110.196 -1.161 . . . . 0.0 110.196 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' CG ' ' B' ' 201' ' ' MET . 96.7 mt-30 -119.21 166.16 13.31 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.998 0.904 . . . . 0.0 110.562 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -140.36 76.97 24.9 Favored Pre-proline 0 C--N 1.299 -1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -74.77 159.86 41.57 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.83 2.353 . . . . 0.0 112.736 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.9 p -106.93 164.78 11.84 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.827 0.822 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.49 -42.81 92.97 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.234 0.54 . . . . 0.0 110.151 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.76 93.65 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.114 -0.991 . . . . 0.0 109.931 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -66.79 -46.77 74.21 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 110.172 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.88 -40.4 87.78 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.191 -0.943 . . . . 0.0 110.176 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -63.81 -44.35 93.52 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.902 -1.124 . . . . 0.0 108.841 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.53 -39.77 92.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.491 -0.756 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.0 -58.67 6.54 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 110.961 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -37.04 78.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.185 -0.947 . . . . 0.0 110.466 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -58.49 -37.97 76.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.374 -0.829 . . . . 0.0 111.279 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' B' ' 206' ' ' LYS . 8.5 pt-20 -59.95 -16.72 32.25 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.919 -1.113 . . . . 0.0 111.154 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.9 p -134.98 25.11 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.116 -0.99 . . . . 0.0 111.846 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.5 t0 -87.33 99.78 12.24 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.588 -1.32 . . . . 0.0 108.802 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.23 -24.59 17.42 Favored 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.335 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.532 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 31.4 p30 -89.18 -11.11 44.69 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.921 -1.112 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 65.16 24.22 70.28 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.532 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 p-10 -95.77 0.87 52.87 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.361 -1.082 . . . . 0.0 110.004 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.27 21.3 75.75 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.513 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 68.5 p -141.31 162.25 35.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.125 -1.22 . . . . 0.0 107.974 178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.6 mt -102.84 122.79 55.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.874 -0.73 . . . . 0.0 109.316 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 51.5 m-20 -92.47 157.76 16.39 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -49.83 -46.46 80.6 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 120.956 -1.09 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.1 -39.44 69.59 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 CA-C-N 120.867 1.345 . . . . 0.0 111.23 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.32 -43.9 97.76 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 35.2 t80 -61.58 -44.54 96.83 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.29 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.4 tp -58.73 -39.98 82.44 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.988 0.899 . . . . 0.0 109.682 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -64.63 -42.78 95.25 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.854 -0.529 . . . . 0.0 109.681 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.6 ttp -62.04 -41.65 98.34 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.126 -0.983 . . . . 0.0 108.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.2 mmm -60.26 -41.88 94.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.34 -0.85 . . . . 0.0 110.645 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.32 -26.44 52.14 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.77 -1.206 . . . . 0.0 108.584 178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.44 -43.49 96.75 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.384 -0.823 . . . . 0.0 109.515 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -61.38 -42.87 99.4 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.3 ttp -60.19 -44.78 94.8 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.614 -0.679 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 87.3 tttt -61.73 -38.8 89.26 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.015 . . . . 0.0 109.267 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 6.9 t70 83.71 61.57 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 CA-C-O 121.301 0.572 . . . . 0.0 109.792 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -73.57 0.68 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.328 -0.857 . . . . 0.0 109.237 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 81' ' ' SER . 55.4 p-10 -73.96 -17.43 61.01 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.205 . . . . 0.0 108.682 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.461 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.7 m -53.03 -28.08 22.69 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.618 -0.676 . . . . 0.0 109.532 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -59.5 -42.26 91.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.005 -1.059 . . . . 0.0 108.35 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -65.39 -38.09 88.95 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.723 -0.611 . . . . 0.0 109.69 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' OE1' HG23 ' B' ' 203' ' ' VAL . 77.7 mm-40 -72.7 -18.34 61.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.389 -0.819 . . . . 0.0 110.519 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 mt -61.28 -45.25 98.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.965 -1.084 . . . . 0.0 109.291 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -65.89 -39.57 90.77 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.645 -1.285 . . . . 0.0 110.978 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' OE2' ' OD1' ' B' ' 202' ' ' ASP . 86.3 tt0 -67.82 -37.12 81.54 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.005 -1.059 . . . . 0.0 110.586 -179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -37.07 72.67 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.244 -0.91 . . . . 0.0 110.381 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 34.4 t80 -58.05 -38.16 75.78 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.833 -1.167 . . . . 0.0 109.043 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -63.65 -37.24 86.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.542 -0.724 . . . . 0.0 109.58 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 t -76.41 -41.61 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.025 -1.047 . . . . 0.0 109.518 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -71.26 -41.54 69.93 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.264 -0.898 . . . . 0.0 109.564 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -84.6 87.26 7.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.013 -1.055 . . . . 0.0 110.01 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 64.0 tttm -66.41 -39.66 89.12 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.743 -0.598 . . . . 0.0 111.071 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.31 -29.38 68.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.997 -1.064 . . . . 0.0 110.92 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.28 13.4 82.84 Favored Glycine 0 N--CA 1.488 2.135 0 C-N-CA 119.42 -1.372 . . . . 0.0 109.834 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.534 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 33.0 p-10 -73.09 -5.54 39.71 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.955 -1.321 . . . . 0.0 109.467 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -5.08 85.68 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.534 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 43.4 m-85 -133.38 136.94 45.62 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.1 mt -95.06 124.19 47.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.661 -1.275 . . . . 0.0 110.514 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.8 p -95.09 167.51 11.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.272 -0.892 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.71 96.6 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.76 -0.587 . . . . 0.0 112.129 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.21 -38.3 90.55 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.409 -1.432 . . . . 0.0 109.289 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' OE2' ' N ' ' A' ' 94' ' ' LYS . 43.3 tt0 -63.56 -42.76 98.33 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.603 -0.686 . . . . 0.0 111.864 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.26 -36.61 84.67 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.961 -1.087 . . . . 0.0 110.447 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -64.43 -38.91 92.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.323 -0.86 . . . . 0.0 110.803 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -57.48 -58.56 7.74 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.271 -0.893 . . . . 0.0 112.644 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.57 -44.0 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.061 -1.025 . . . . 0.0 109.33 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.543 ' O ' ' N ' ' A' ' 113' ' ' GLY . 97.8 mtp -66.11 -38.83 89.17 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.695 -1.253 . . . . 0.0 110.553 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -65.57 -50.09 66.44 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.996 -1.065 . . . . 0.0 110.299 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -72.49 -38.64 68.11 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.109 -0.994 . . . . 0.0 111.663 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.2 mp -109.17 9.94 25.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.62 -0.675 . . . . 0.0 111.632 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -150.69 -96.03 0.14 Allowed Glycine 0 N--CA 1.489 2.217 0 C-N-CA 119.151 -1.5 . . . . 0.0 109.739 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 109' ' ' MET . 25.1 pt-20 -172.79 148.92 1.92 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.564 -1.551 . . . . 0.0 109.032 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -73.44 133.32 43.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.005 -1.059 . . . . 0.0 109.586 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mp -107.78 -167.99 1.32 Allowed 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.7 p -100.83 158.99 15.56 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.857 -1.152 . . . . 0.0 108.883 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.99 -39.09 84.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.162 -0.961 . . . . 0.0 110.291 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -62.14 -40.83 97.27 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.911 -1.118 . . . . 0.0 109.048 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -62.58 -44.72 95.61 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.287 -0.883 . . . . 0.0 109.848 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.9 t -75.66 -36.21 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 109.6 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -61.35 -48.71 80.07 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.015 -1.053 . . . . 0.0 110.455 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.34 -38.35 89.84 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.998 -1.064 . . . . 0.0 110.264 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.14 -43.11 92.0 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.07 -1.019 . . . . 0.0 109.339 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -69.03 -38.69 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.254 -0.904 . . . . 0.0 109.078 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -59.5 -48.52 81.34 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.148 -0.97 . . . . 0.0 110.619 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.99 -43.63 82.45 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.162 -0.961 . . . . 0.0 112.085 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.38 -20.37 60.77 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.204 -0.935 . . . . 0.0 111.515 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -68.38 98.78 0.87 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.829 -1.169 . . . . 0.0 110.233 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -93.77 -45.16 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.615 -0.678 . . . . 0.0 111.18 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p-10 -74.73 -25.38 59.07 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.066 -1.022 . . . . 0.0 108.666 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.547 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.17 19.33 59.19 Favored Glycine 0 N--CA 1.481 1.67 0 C-N-CA 119.444 -1.36 . . . . 0.0 109.908 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 137' ' ' ASN . 56.2 p-10 -81.51 -4.98 57.49 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.241 -1.153 . . . . 0.0 110.072 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.6 -0.54 81.09 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -137.64 152.71 49.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.362 -1.081 . . . . 0.0 108.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 64.0 t -93.7 122.81 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.924 -1.11 . . . . 0.0 108.373 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.582 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -107.07 -179.28 3.89 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.748 0.785 . . . . 0.0 110.067 -177.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.626 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.4 m-85 -60.11 -38.87 84.29 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -59.87 -50.73 72.64 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.382 -0.824 . . . . 0.0 109.925 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -67.57 -39.68 84.89 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.064 0.935 . . . . 0.0 108.816 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -65.19 -45.22 85.73 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.288 -0.883 . . . . 0.0 110.89 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.47 -41.62 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.621 0 O-C-N 119.846 -1.784 . . . . 0.0 109.416 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -61.5 -38.56 87.78 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.271 -0.893 . . . . 0.0 111.429 -178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.54 ' HE3' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -67.3 -49.55 63.77 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.942 -1.099 . . . . 0.0 110.596 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 28.6 mtp -67.73 -39.42 84.27 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.225 -0.922 . . . . 0.0 111.038 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.13 54.47 0.87 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.763 -1.211 . . . . 0.0 109.232 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.35 145.34 32.98 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.36 -0.838 . . . . 0.0 109.783 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.239 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.793 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.209 -1.033 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' B' ' 201' ' ' MET . 3.6 mpp? -63.57 -35.28 79.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.322 -0.861 . . . . 0.0 109.908 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 44.2 p-10 -49.7 -28.85 6.55 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.986 -1.071 . . . . 0.0 109.545 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.793 HG12 ' O ' ' B' ' 200' ' ' ACE . 6.2 p -64.53 -7.34 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.337 -0.852 . . . . 0.0 109.783 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -55.15 -49.37 72.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.818 -1.176 . . . . 0.0 110.38 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.612 ' SD ' HD21 ' A' ' 32' ' ' LEU . 99.3 mtp -67.26 -41.31 85.78 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.618 -1.301 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.425 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 68.6 mttm -71.55 -41.28 69.3 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.754 -1.216 . . . . 0.0 110.901 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -76.59 -2.3 74.75 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.595 HD23 ' O ' ' B' ' 208' ' ' LEU . 1.8 tt -45.8 -41.9 11.54 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.112 -1.228 . . . . 0.0 109.857 -179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 86.4 p -85.63 -14.63 45.01 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.036 -1.04 . . . . 0.0 110.434 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -108.36 0.62 21.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.366 -0.834 . . . . 0.0 110.043 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -61.32 -37.86 84.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.956 -1.09 . . . . 0.0 109.751 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.475 ' O ' HG12 ' B' ' 215' ' ' VAL . 62.4 pttt -165.27 -23.65 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.748 -1.22 . . . . 0.0 109.675 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.9 -39.18 93.57 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.279 -0.888 . . . . 0.0 110.087 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' B' ' 216' ' ' VAL . . . -59.32 -39.09 94.25 Favored Glycine 0 N--CA 1.499 2.847 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.394 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.475 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.8 OUTLIER -51.71 -14.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.71 -1.465 . . . . 0.0 109.652 -179.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.411 ' N ' ' C ' ' B' ' 214' ' ' GLY . 52.6 t -61.86 -37.78 79.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.482 -0.761 . . . . 0.0 110.713 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.86 79.42 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.956 -1.09 . . . . 0.0 111.275 -177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.05 91.77 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.56 -1.337 . . . . 0.0 109.394 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -145.48 -58.19 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.35 -0.843 . . . . 0.0 109.473 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.792 -1.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.85 -9.04 59.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.12 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -131.57 150.08 52.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.489 -0.757 . . . . 0.0 109.479 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD13 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -133.15 150.18 52.04 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 ' H ' HD13 ' A' ' 4' ' ' LEU . 39.3 p -105.06 156.91 17.62 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.82 0.819 . . . . 0.0 110.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.63 -38.36 87.38 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.72 -0.613 . . . . 0.0 110.998 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -61.69 -40.99 96.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.914 -1.116 . . . . 0.0 110.448 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -62.98 -44.86 94.88 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.08 -1.012 . . . . 0.0 111.29 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.13 -45.06 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 120.506 -1.371 . . . . 0.0 109.68 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.01 93.23 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.854 -1.154 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -63.06 -44.31 96.18 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.949 -1.094 . . . . 0.0 111.294 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CG ' ' SD ' ' A' ' 72' ' ' MET . 10.7 m-85 -88.19 -30.94 19.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.876 -1.14 . . . . 0.0 110.899 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -62.44 -44.69 95.81 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.908 -1.12 . . . . 0.0 109.29 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -60.41 -47.86 84.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.92 . . . . 0.0 109.133 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.79 -35.47 74.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.395 -0.816 . . . . 0.0 110.057 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.61 -46.26 84.32 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.112 -0.992 . . . . 0.0 111.633 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.4 m -59.43 -36.94 76.85 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.782 -1.199 . . . . 0.0 110.927 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.0 -41.3 78.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.718 -1.239 . . . . 0.0 109.897 -178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -66.25 -40.32 90.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.8 -1.187 . . . . 0.0 109.057 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 26' ' ' THR . 50.8 t0 -84.79 81.79 8.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.725 -1.234 . . . . 0.0 109.755 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.11 -23.83 67.47 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.057 -1.027 . . . . 0.0 110.269 -178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.26 -26.21 68.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.109 -0.995 . . . . 0.0 110.052 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.14 10.53 78.33 Favored Glycine 0 N--CA 1.497 2.74 0 O-C-N 120.541 -1.349 . . . . 0.0 110.26 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -91.63 3.18 55.64 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.35 -1.088 . . . . 0.0 109.874 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.03 8.33 87.92 Favored Glycine 0 N--CA 1.489 2.175 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 69.8 p -135.16 148.7 49.79 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.333 -1.098 . . . . 0.0 108.905 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.2 mt -104.44 130.83 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.1 p -108.67 158.54 17.51 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 51.9 p -54.96 -35.77 64.62 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.228 -0.92 . . . . 0.0 110.209 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -65.0 -41.55 95.29 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.195 -0.941 . . . . 0.0 109.767 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.85 -41.71 91.35 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.432 -0.793 . . . . 0.0 111.391 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.11 -54.52 12.65 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.041 -1.037 . . . . 0.0 110.125 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.07 97.77 Favored Glycine 0 N--CA 1.486 2.026 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.237 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.1 m -59.56 -46.08 89.96 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.901 -1.353 . . . . 0.0 109.827 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -75.43 -33.21 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.763 -1.211 . . . . 0.0 109.165 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.9 tpp -61.51 -32.82 72.87 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 120.969 -1.082 . . . . 0.0 109.783 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.43 -34.18 72.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.165 -0.96 . . . . 0.0 110.039 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.1 m -59.22 -37.46 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.16 -0.963 . . . . 0.0 108.706 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.8 11.38 0.14 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.403 -0.811 . . . . 0.0 108.818 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 65.36 36.87 93.22 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 120.038 -1.077 . . . . 0.0 110.569 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -114.36 159.36 20.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.479 -1.013 . . . . 0.0 109.632 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -141.53 69.9 26.03 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.56 159.99 47.64 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.471 2.114 . . . . 0.0 112.351 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.1 p -101.01 168.51 9.56 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.381 -0.824 . . . . 0.0 110.408 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -59.63 -44.37 93.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.778 -0.576 . . . . 0.0 110.082 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.78 94.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.269 -0.894 . . . . 0.0 109.684 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -65.06 -46.32 81.71 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.894 -1.129 . . . . 0.0 109.908 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.64 -39.27 91.27 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.141 -0.974 . . . . 0.0 109.168 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -61.27 -44.8 96.65 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.98 -40.0 94.12 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.751 . . . . 0.0 109.763 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.416 ' HE2' ' H ' ' B' ' 201' ' ' MET . 57.0 mtt -62.53 -51.55 66.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.708 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -75.34 -38.0 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.17 -0.956 . . . . 0.0 110.7 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -57.78 -37.66 74.09 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.604 -0.685 . . . . 0.0 110.836 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 54' ' ' GLU . 1.2 pp20? -61.3 -13.88 22.49 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.139 -0.976 . . . . 0.0 111.366 -178.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.7 p -135.86 25.78 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 121.07 -1.019 . . . . 0.0 111.701 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 65.1 t0 -90.66 103.45 16.15 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.495 -1.378 . . . . 0.0 108.951 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.07 -25.61 17.11 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.582 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -91.75 -7.2 50.34 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.792 -1.192 . . . . 0.0 109.136 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 61.72 25.32 65.41 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.524 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.1 p30 -94.13 0.59 55.92 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -1.119 . . . . 0.0 109.895 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.02 20.81 76.6 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.284 -1.127 . . . . 0.0 110.284 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 p -141.4 162.58 35.14 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.188 -1.183 . . . . 0.0 107.945 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -106.17 123.19 60.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 C-N-CA 120.238 -0.585 . . . . 0.0 109.571 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -95.53 160.1 14.67 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.064 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -49.8 -45.29 79.8 Favored Pre-proline 0 N--CA 1.487 1.397 0 O-C-N 121.167 -0.958 . . . . 0.0 111.254 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 -38.49 46.89 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 120.838 1.335 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.82 -45.09 94.22 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 72' ' ' MET . 30.4 t80 -61.58 -45.68 93.07 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.538 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.6 -39.92 89.9 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.18 0.991 . . . . 0.0 109.265 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -61.4 -44.17 97.61 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.7 ttp -62.24 -37.93 87.29 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.527 ' SD ' ' CG ' ' A' ' 12' ' ' PHE . 1.9 mtp -60.89 -41.45 96.08 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.47 -25.65 54.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.984 -1.073 . . . . 0.0 108.76 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.474 ' CG ' ' OG1' ' A' ' 79' ' ' THR . 42.1 ttm180 -60.94 -38.24 85.12 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.421 -0.799 . . . . 0.0 110.528 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 77' ' ' LYS . 63.4 tttm -58.68 -47.42 84.59 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.172 -0.955 . . . . 0.0 110.298 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ptm -65.78 7.24 0.27 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.745 -1.222 . . . . 0.0 109.547 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.502 ' H ' ' C ' ' A' ' 75' ' ' LYS . 67.5 mttm -115.09 -122.3 0.29 Allowed 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -163.27 95.01 0.83 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.261 -1.524 . . . . 0.0 110.205 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' CG ' ' A' ' 74' ' ' ARG . 0.5 OUTLIER -148.81 -73.13 0.19 Allowed 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.143 -0.973 . . . . 0.0 108.56 178.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -89.57 -1.78 58.13 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.8 p -49.25 -42.61 41.25 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.87 -40.73 87.93 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.853 -1.154 . . . . 0.0 109.586 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.22 -44.43 83.84 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.546 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' CB ' HG11 ' B' ' 203' ' ' VAL . 9.4 pt-20 -72.15 -36.98 69.49 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.822 -1.174 . . . . 0.0 109.685 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.44 HD13 ' HB2' ' A' ' 145' ' ' MET . 77.3 mt -67.48 -44.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 C-N-CA 119.855 -0.738 . . . . 0.0 109.068 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.76 -38.79 80.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.109 -0.994 . . . . 0.0 110.714 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -65.36 -38.8 91.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.005 -1.059 . . . . 0.0 109.91 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.8 -36.4 72.15 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.447 -0.783 . . . . 0.0 110.484 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.637 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.9 t80 -58.73 -38.97 79.52 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.986 -1.071 . . . . 0.0 108.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -62.54 -39.83 94.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.565 -0.71 . . . . 0.0 110.523 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.42 -40.04 24.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.051 -1.031 . . . . 0.0 109.453 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -68.24 -40.49 81.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.156 -0.965 . . . . 0.0 109.007 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -78.9 83.2 5.03 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.099 -1.001 . . . . 0.0 109.996 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -71.08 -42.19 69.69 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.417 -0.802 . . . . 0.0 111.301 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 14.0 p-10 -68.4 -27.58 66.34 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.821 -1.174 . . . . 0.0 110.727 -178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.48 15.49 80.38 Favored Glycine 0 N--CA 1.491 2.307 0 C-N-CA 119.688 -1.244 . . . . 0.0 110.545 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.561 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 43.8 p-10 -71.55 -4.2 25.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.775 -1.427 . . . . 0.0 108.638 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.9 -1.32 86.81 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 108.737 -1.745 . . . . 0.0 108.737 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 56.7 m-85 -135.34 140.19 44.88 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.0 mt -89.58 118.33 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.303 -1.498 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.447 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 89.1 p -94.0 170.55 9.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 110.937 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.71 86.41 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.6 -0.688 . . . . 0.0 112.421 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.14 95.94 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.584 -1.322 . . . . 0.0 111.002 -178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 101' ' ' SER . 10.6 pt-20 -69.9 -27.1 64.52 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 111.883 -178.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD23 ' SD ' ' A' ' 109' ' ' MET . 3.9 tt -69.84 -38.02 76.35 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.765 -1.209 . . . . 0.0 110.994 -178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.07 -35.34 79.63 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.052 -1.03 . . . . 0.0 111.268 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -58.59 -56.16 25.71 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.18 -0.95 . . . . 0.0 112.813 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.38 -39.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.01 -1.057 . . . . 0.0 108.539 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.578 ' SD ' HD23 ' A' ' 105' ' ' LEU . 95.2 mtp -62.23 -38.25 88.48 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.964 -1.085 . . . . 0.0 110.26 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.9 m -66.09 -40.01 90.47 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.217 -0.927 . . . . 0.0 110.84 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.19 -22.6 66.97 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.896 -1.127 . . . . 0.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.1 mt -93.49 10.08 33.93 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.095 -1.003 . . . . 0.0 109.791 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.2 18.69 80.02 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -108.11 140.9 40.63 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.492 -1.005 . . . . 0.0 109.266 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -154.26 130.22 10.21 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.755 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -118.49 -173.04 2.39 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.2 p -98.27 162.61 13.1 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.084 -1.01 . . . . 0.0 109.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.15 -39.48 86.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.051 -1.03 . . . . 0.0 110.297 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.65 -40.07 95.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.046 . . . . 0.0 109.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.23 -43.2 95.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.302 -0.874 . . . . 0.0 109.686 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.92 -37.97 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -61.7 -46.3 90.27 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.101 -0.999 . . . . 0.0 110.055 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.49 -38.58 91.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.096 -1.003 . . . . 0.0 110.467 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.2 mtt -60.77 -39.63 89.51 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.085 -1.01 . . . . 0.0 109.926 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -70.08 -41.54 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 120.965 -1.084 . . . . 0.0 109.45 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.41 -47.77 84.27 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.158 -0.964 . . . . 0.0 110.722 -178.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.52 -40.63 69.99 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.916 -1.115 . . . . 0.0 111.902 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.41 -22.44 61.86 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.834 -1.166 . . . . 0.0 110.612 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -71.22 106.06 3.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.81 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.12 -45.94 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.683 -0.636 . . . . 0.0 111.219 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.4 p30 -75.69 -23.69 56.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.246 -0.909 . . . . 0.0 108.809 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 84.18 19.89 60.01 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.5 p30 -75.64 -10.36 59.38 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.372 -1.075 . . . . 0.0 109.938 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.41 -11.05 71.09 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 9.7 mp0 -130.77 159.76 36.36 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.256 -1.143 . . . . 0.0 108.469 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -97.05 123.2 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.575 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.52 -178.0 3.47 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.874 0.845 . . . . 0.0 110.603 -177.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.637 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 14.1 m-85 -60.62 -40.31 91.43 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -59.36 -49.28 78.42 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.252 -0.905 . . . . 0.0 109.768 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -69.09 -39.85 78.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.439 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -68.99 -41.96 77.13 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.799 -0.563 . . . . 0.0 111.981 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.6 t -65.47 -40.05 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 O-C-N 120.054 -1.654 . . . . 0.0 109.314 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -61.41 -37.67 84.31 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 111.353 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 mmt -65.87 -36.75 84.31 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.774 -1.204 . . . . 0.0 110.662 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.44 ' HB2' HD13 ' A' ' 85' ' ' ILE . 16.6 mtp -91.45 2.3 56.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.91 -1.119 . . . . 0.0 111.356 -177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.53 52.11 1.66 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.359 -0.838 . . . . 0.0 109.051 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.09 141.94 37.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.333 -0.855 . . . . 0.0 109.546 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.382 -179.8 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.7 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.212 -0.876 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.416 ' H ' ' HE2' ' A' ' 51' ' ' MET . 23.7 mmt -68.2 -28.5 67.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.379 -0.826 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 53.3 p30 -50.07 -28.67 7.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.783 -1.198 . . . . 0.0 109.797 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.7 HG12 ' O ' ' B' ' 200' ' ' ACE . 9.1 p -71.63 -22.51 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.007 -1.058 . . . . 0.0 110.22 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.1 OUTLIER -50.51 -33.91 23.24 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.845 -1.159 . . . . 0.0 110.196 -177.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 22.8 ptp -65.84 -19.7 65.97 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 120.455 -1.403 . . . . 0.0 108.542 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.534 ' HZ3' ' HE3' ' B' ' 210' ' ' LYS . 6.1 tmtt? -94.24 -56.17 2.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.82 . . . . 0.0 109.933 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -61.68 -26.61 67.01 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.721 HD13 ' C ' ' B' ' 208' ' ' LEU . 1.5 tm? -60.13 -47.33 86.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.009 -1.289 . . . . 0.0 110.177 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.466 ' N ' HD13 ' B' ' 208' ' ' LEU . 84.8 p -86.29 -13.0 47.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.898 -1.126 . . . . 0.0 110.284 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.534 ' HE3' ' HZ3' ' B' ' 206' ' ' LYS . 74.3 mmtt -114.29 4.2 15.36 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.434 -0.791 . . . . 0.0 110.221 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -62.68 -38.15 89.26 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.94 -1.1 . . . . 0.0 109.974 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.444 ' O ' HG12 ' B' ' 215' ' ' VAL . 60.1 mtpt -95.5 -37.74 10.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.026 -1.046 . . . . 0.0 109.988 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -65.67 -40.72 92.68 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.914 -1.116 . . . . 0.0 109.945 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -60.52 -39.59 96.6 Favored Glycine 0 N--CA 1.5 2.938 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.697 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.444 HG12 ' O ' ' B' ' 212' ' ' LYS . 0.4 OUTLIER -55.35 -11.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.737 -1.449 . . . . 0.0 109.539 -179.255 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.81 -41.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.314 -0.866 . . . . 0.0 110.469 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.17 93.72 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.962 -1.086 . . . . 0.0 111.436 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -93.08 -18.85 22.13 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.813 -1.18 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -138.91 -118.43 0.14 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.55 -0.719 . . . . 0.0 109.427 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.87 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -90.07 -1.16 57.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -63.03 -39.38 94.58 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 4' ' ' LEU . 6.2 tp -135.97 149.56 48.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.43 -0.794 . . . . 0.0 109.051 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -108.96 157.09 18.98 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-O 121.503 0.668 . . . . 0.0 110.271 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.35 -39.86 95.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.407 -0.808 . . . . 0.0 110.607 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.0 -38.78 89.91 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.974 -1.079 . . . . 0.0 110.822 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.03 -40.49 95.87 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.895 -1.128 . . . . 0.0 110.446 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.72 -40.57 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.493 -1.379 . . . . 0.0 109.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.54 75.38 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 109.679 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.58 -43.42 98.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.989 -1.069 . . . . 0.0 110.164 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.68 -19.94 26.98 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.981 -1.074 . . . . 0.0 109.938 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.47 -43.26 99.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.646 -1.283 . . . . 0.0 108.986 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.45 -46.2 89.42 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.143 -0.973 . . . . 0.0 109.398 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.91 85.31 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.195 -0.941 . . . . 0.0 109.365 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -57.83 -46.03 85.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.224 -0.922 . . . . 0.0 111.193 -178.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -62.72 -21.77 66.02 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.0 -1.062 . . . . 0.0 111.768 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.92 -41.65 91.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.514 -1.366 . . . . 0.0 110.221 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -70.0 -37.0 75.56 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.063 -1.023 . . . . 0.0 109.75 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 26' ' ' THR . 47.8 t0 -82.73 83.03 7.83 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.657 -1.277 . . . . 0.0 109.877 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.1 -27.23 68.77 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.185 -0.947 . . . . 0.0 109.824 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.28 -28.2 69.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.132 -0.98 . . . . 0.0 109.697 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.05 13.05 81.28 Favored Glycine 0 N--CA 1.497 2.71 0 O-C-N 120.608 -1.307 . . . . 0.0 110.238 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -90.65 3.46 54.11 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.287 -1.125 . . . . 0.0 110.044 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.03 8.67 87.44 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 79.6 p -135.96 149.54 48.93 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.306 -1.114 . . . . 0.0 109.046 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -102.92 130.69 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -104.62 155.13 19.12 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.264 0.554 . . . . 0.0 109.568 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.0 p -56.64 -31.99 64.89 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.268 -0.895 . . . . 0.0 110.372 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.457 ' O ' ' OG1' ' A' ' 34' ' ' THR . 68.3 mttm -70.48 -39.05 74.45 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.975 -1.078 . . . . 0.0 109.615 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -41.42 92.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.275 -0.89 . . . . 0.0 110.973 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD2' ' O ' ' B' ' 200' ' ' ACE . 0.4 OUTLIER -71.43 -55.8 7.21 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.066 -1.021 . . . . 0.0 110.348 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.3 -41.23 98.29 Favored Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.423 -1.37 . . . . 0.0 110.017 -178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 88.0 m -60.92 -47.06 88.14 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -1.2 . . . . 0.0 109.587 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -75.51 -37.99 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.657 -1.277 . . . . 0.0 109.345 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.526 ' SD ' ' N ' ' B' ' 201' ' ' MET . 12.0 ttp -63.98 -36.26 83.38 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.961 -1.087 . . . . 0.0 108.946 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -55.35 -34.83 64.59 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.572 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.2 m -58.33 -34.15 70.29 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.188 -0.945 . . . . 0.0 108.774 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 1.1 tt -68.04 19.52 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.428 -0.795 . . . . 0.0 108.903 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.45 37.49 94.52 Favored Glycine 0 N--CA 1.484 1.855 0 O-C-N 121.109 -0.994 . . . . 0.0 110.85 178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.22 161.65 20.01 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.447 -1.031 . . . . 0.0 109.753 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -141.31 71.57 26.9 Favored Pre-proline 0 C--N 1.301 -1.535 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -60.58 154.03 57.2 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.322 2.681 . . . . 0.0 112.641 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -106.96 166.05 10.89 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 121.687 0.756 . . . . 0.0 109.777 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.97 -42.92 95.18 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.614 -0.679 . . . . 0.0 110.043 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.16 95.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.171 -0.955 . . . . 0.0 110.048 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -66.14 -47.21 74.81 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.784 -1.198 . . . . 0.0 110.383 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.41 -40.93 73.58 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.268 -0.895 . . . . 0.0 111.799 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -62.58 -50.14 72.46 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.427 -1.421 . . . . 0.0 109.942 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -61.53 -43.84 98.14 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.373 -0.829 . . . . 0.0 110.38 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.54 ' CE ' ' SD ' ' B' ' 201' ' ' MET . 3.6 mmm -63.36 -51.24 66.71 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.127 -0.983 . . . . 0.0 111.099 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -38.57 52.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.026 -1.046 . . . . 0.0 110.717 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -59.49 -39.11 82.69 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.473 -0.767 . . . . 0.0 111.694 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.77 -38.01 83.82 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.063 -1.023 . . . . 0.0 111.843 -178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -99.82 4.81 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 120.927 -1.108 . . . . 0.0 110.72 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -79.91 108.29 13.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.875 -1.141 . . . . 0.0 109.246 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.99 -23.94 17.84 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.277 -0.889 . . . . 0.0 110.783 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 33.0 p30 -92.79 -4.24 53.36 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.927 -1.108 . . . . 0.0 109.285 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.93 27.92 62.79 Favored Glycine 0 N--CA 1.487 2.054 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.2 p-10 -93.27 1.26 57.09 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.264 -1.139 . . . . 0.0 109.981 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.91 16.95 76.63 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.404 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -141.29 160.58 39.81 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.19 -1.183 . . . . 0.0 107.869 178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.4 mt -101.81 120.95 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 119.902 -0.719 . . . . 0.0 109.227 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -88.58 152.24 21.97 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 119.166 -1.014 . . . . 0.0 109.431 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.6 t80 -44.41 -53.21 14.97 Favored Pre-proline 0 C--N 1.301 -1.509 0 O-C-N 121.353 -0.842 . . . . 0.0 111.648 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.1 Cg_endo -58.06 -33.91 97.84 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 120.67 1.275 . . . . 0.0 111.502 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.81 -43.94 91.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.694 -1.254 . . . . 0.0 107.685 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -61.32 -45.54 94.02 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.598 0.714 . . . . 0.0 110.389 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 tp -58.48 -39.68 80.62 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.007 0.908 . . . . 0.0 109.666 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.1 m -61.94 -45.22 94.64 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.71 -39.37 93.82 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.109 -0.994 . . . . 0.0 110.072 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.3 mmm -58.99 -42.7 90.65 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 110.959 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.63 -24.75 49.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.904 -1.123 . . . . 0.0 108.908 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 78' ' ' ASP . 52.4 ttt85 -62.75 -40.95 98.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.403 -0.811 . . . . 0.0 109.893 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 78' ' ' ASP . 55.4 tptt -59.87 -45.21 93.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.3 tpp -58.52 -39.64 80.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.629 -0.67 . . . . 0.0 109.468 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -105.02 11.63 33.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.277 -0.889 . . . . 0.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 74' ' ' ARG . 35.7 t0 -169.28 -175.04 2.13 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 120.811 -1.18 . . . . 0.0 110.121 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.53 97.5 3.47 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.54 -0.725 . . . . 0.0 110.078 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.36 -1.88 57.49 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.3 p -75.14 2.32 11.09 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.87 -40.33 75.98 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.1 -39.45 86.72 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.39 -29.77 69.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.682 -0.637 . . . . 0.0 110.105 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -58.71 -46.79 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -69.25 -39.53 78.42 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.521 -1.362 . . . . 0.0 110.611 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -69.56 -38.79 77.58 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.983 -1.073 . . . . 0.0 110.599 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.36 72.88 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.452 -0.78 . . . . 0.0 111.086 -177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.623 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 25.5 t80 -58.81 -39.08 80.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.558 -1.339 . . . . 0.0 109.114 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -64.54 -37.33 87.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.48 -0.763 . . . . 0.0 110.114 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.62 -40.96 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 120.978 -1.076 . . . . 0.0 109.458 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -71.21 -40.68 70.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -80.57 83.84 6.28 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.018 -1.051 . . . . 0.0 110.197 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -64.3 -44.63 91.03 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.443 -0.785 . . . . 0.0 111.552 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p30 -68.91 -26.93 65.34 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.917 -1.114 . . . . 0.0 110.978 -178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.559 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 73.22 17.12 78.64 Favored Glycine 0 N--CA 1.488 2.111 0 C-N-CA 119.604 -1.284 . . . . 0.0 109.958 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.512 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 42.7 p-10 -70.8 -5.72 32.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.957 -1.319 . . . . 0.0 108.762 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.18 -1.6 80.18 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 58.9 m-85 -134.41 141.69 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.2 mt -96.71 128.94 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 120.526 -1.359 . . . . 0.0 109.419 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.0 p -106.61 165.81 11.02 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.941 0.877 . . . . 0.0 110.715 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.95 88.5 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.884 -0.51 . . . . 0.0 111.606 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.96 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.381 -1.449 . . . . 0.0 108.508 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -61.58 -39.9 92.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.295 -0.878 . . . . 0.0 110.227 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.0 -39.47 87.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.294 -0.879 . . . . 0.0 111.051 -178.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -63.9 -37.57 87.9 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.423 -1.423 . . . . 0.0 110.167 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -63.54 -60.78 2.89 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 121.261 -0.899 . . . . 0.0 112.743 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.05 -40.2 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.098 -1.001 . . . . 0.0 109.437 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.7 mtp -62.77 -39.01 92.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.842 -1.161 . . . . 0.0 109.907 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -65.29 -40.24 93.59 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.333 -0.854 . . . . 0.0 110.762 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.17 -22.99 67.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.161 -0.962 . . . . 0.0 110.958 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.8 mt -91.28 7.52 40.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.936 -1.103 . . . . 0.0 109.913 -178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.51 12.37 81.92 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' B' ' 212' ' ' LYS . 87.1 tt0 -103.52 127.2 50.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.476 -1.014 . . . . 0.0 108.885 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -135.59 119.58 17.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 109.569 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.06 -177.2 3.07 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -101.11 163.69 12.16 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.173 -0.954 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -58.42 -41.5 85.17 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.279 -0.888 . . . . 0.0 110.533 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.74 -39.8 92.86 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.989 -1.07 . . . . 0.0 109.273 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.437 ' OE1' ' CB ' ' B' ' 218' ' ' ALA . 69.5 mm-40 -64.34 -42.78 96.08 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.277 -0.889 . . . . 0.0 109.664 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.7 t -71.9 -33.17 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.2 -38.84 80.89 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.233 -0.917 . . . . 0.0 109.323 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 77.2 mm-40 -61.2 -38.93 88.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.108 -0.995 . . . . 0.0 109.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.7 mtt -61.17 -42.27 98.27 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.097 -1.002 . . . . 0.0 110.381 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.78 -46.04 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.031 -1.043 . . . . 0.0 110.045 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 123' ' ' GLU . 87.2 mtm180 -63.57 -40.79 97.89 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.881 -1.137 . . . . 0.0 111.389 -178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.73 -38.91 87.62 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.778 -1.201 . . . . 0.0 110.803 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.87 -0.11 57.37 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.134 -0.979 . . . . 0.0 111.094 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -80.3 85.71 5.77 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.82 -1.175 . . . . 0.0 109.984 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -93.49 -42.34 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -0.901 . . . . 0.0 110.88 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.572 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 54.3 p30 -79.28 -25.19 42.51 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.159 -0.963 . . . . 0.0 109.361 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.572 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.36 20.15 67.45 Favored Glycine 0 N--CA 1.481 1.697 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.454 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.6 p-10 -78.16 -10.24 59.54 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.394 -1.062 . . . . 0.0 110.035 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.9 -9.46 77.2 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.454 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -132.49 166.26 22.44 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.318 -1.107 . . . . 0.0 108.651 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.2 t -102.61 124.19 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.61 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.49 -175.62 2.82 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 121.944 0.878 . . . . 0.0 110.341 -177.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.623 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 12.8 m-85 -62.75 -39.73 95.05 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -60.85 -50.99 71.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.869 . . . . 0.0 109.659 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -66.22 -41.35 90.23 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 121.21 -0.931 . . . . 0.0 109.327 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -64.01 -47.1 81.63 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.688 -0.633 . . . . 0.0 110.552 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.73 -43.3 77.42 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 120.148 -1.595 . . . . 0.0 108.623 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -65.0 -37.51 87.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.438 -0.789 . . . . 0.0 110.787 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 23.7 ttp -61.22 -38.87 88.16 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.057 -1.027 . . . . 0.0 110.712 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.3 mtp -83.96 -16.46 44.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.009 -1.057 . . . . 0.0 112.831 -177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.26 54.57 3.11 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.361 -1.462 . . . . 0.0 109.267 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -107.16 145.32 32.7 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.325 -0.86 . . . . 0.0 109.747 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 118.067 -0.968 . . . . 0.0 109.029 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.815 ' H1 ' ' CD1' ' B' ' 204' ' ' PHE . . . . . . . . 0 C--O 1.212 -0.914 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.54 ' SD ' ' CE ' ' A' ' 51' ' ' MET . 24.1 mtt -72.32 154.82 40.74 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.328 -0.858 . . . . 0.0 108.887 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' B' ' 203' ' ' VAL . 32.6 p-10 -51.19 -46.24 62.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.719 -1.238 . . . . 0.0 109.543 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.476 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 2.6 p -74.99 -30.38 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.837 -1.165 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.815 ' CD1' ' H1 ' ' B' ' 200' ' ' ACE . 0.0 OUTLIER -51.91 -47.37 64.64 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.103 -0.998 . . . . 0.0 111.544 -178.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 204' ' ' PHE . 23.5 ptp -64.65 -32.85 74.69 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.476 -1.39 . . . . 0.0 109.09 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -70.08 -34.19 72.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.313 -0.867 . . . . 0.0 109.704 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -61.9 -11.94 33.39 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.36 -45.73 80.33 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.886 -1.361 . . . . 0.0 109.965 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.407 ' O ' ' N ' ' B' ' 213' ' ' GLU . 48.0 t -62.19 -48.95 77.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.075 -1.015 . . . . 0.0 111.043 -178.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -64.14 -40.44 96.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.009 -1.057 . . . . 0.0 111.246 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.54 62.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.932 -1.105 . . . . 0.0 109.95 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 114' ' ' GLU . 74.1 mmtt -111.58 1.06 16.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.44 -0.787 . . . . 0.0 109.975 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 209' ' ' SER . 52.8 tp10 -63.03 -50.36 70.96 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.604 -1.31 . . . . 0.0 110.759 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -65.9 -42.06 95.12 Favored Glycine 0 N--CA 1.505 3.29 0 O-C-N 120.853 -1.154 . . . . 0.0 111.332 -178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.37 -1.31 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.059 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.427 ' H ' ' C ' ' B' ' 214' ' ' GLY . 46.1 t -61.92 -38.21 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.283 -0.886 . . . . 0.0 110.556 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.082 -1.011 . . . . 0.0 111.094 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.437 ' CB ' ' OE1' ' A' ' 120' ' ' GLU . . . -60.41 -40.16 89.98 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.557 -1.339 . . . . 0.0 109.393 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -154.6 -94.16 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.426 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' OD2' HG22 ' A' ' 5' ' ' THR . 65.8 t0 -85.47 76.27 10.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.208 -0.932 . . . . 0.0 109.58 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -61.83 -40.22 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.253 -0.905 . . . . 0.0 109.47 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -134.41 148.84 50.72 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 HG22 ' OD2' ' A' ' 2' ' ' ASP . 40.3 p -106.18 156.96 17.93 Favored 'General case' 0 N--CA 1.498 1.975 0 CA-C-O 121.62 0.724 . . . . 0.0 110.139 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.77 -39.4 88.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.648 -0.658 . . . . 0.0 110.355 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -58.65 -43.81 89.93 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.965 -1.084 . . . . 0.0 110.081 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -61.98 -45.58 92.99 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.117 -0.99 . . . . 0.0 111.313 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.89 -45.93 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.318 -1.489 . . . . 0.0 109.61 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.44 91.15 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.988 -1.07 . . . . 0.0 110.537 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.67 -44.7 96.45 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.956 -1.09 . . . . 0.0 110.681 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -88.12 -28.35 21.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.021 -1.05 . . . . 0.0 110.557 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -62.91 -43.53 98.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.871 -1.143 . . . . 0.0 109.296 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.04 -46.74 88.54 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 119.525 -0.87 . . . . 0.0 108.755 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.41 68.1 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.362 -0.836 . . . . 0.0 110.087 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -58.36 -46.85 85.49 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.148 -0.97 . . . . 0.0 111.48 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.67 -36.82 77.22 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.867 -1.146 . . . . 0.0 111.046 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.86 -40.76 73.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.728 -1.233 . . . . 0.0 109.933 -178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -66.36 -40.33 89.71 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.765 -1.209 . . . . 0.0 109.276 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 26' ' ' THR . 48.9 t0 -84.23 82.06 8.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.562 -1.336 . . . . 0.0 109.878 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.72 -25.17 68.08 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.204 -0.935 . . . . 0.0 109.899 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.64 -27.35 69.17 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.041 -1.037 . . . . 0.0 110.128 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.39 12.01 79.94 Favored Glycine 0 N--CA 1.497 2.754 0 O-C-N 120.475 -1.391 . . . . 0.0 110.567 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -92.19 3.6 55.0 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.213 -1.169 . . . . 0.0 110.162 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 7.01 88.97 Favored Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.741 -1.219 . . . . 0.0 110.201 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 70.6 p -134.76 149.1 50.38 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.35 -1.088 . . . . 0.0 108.873 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.3 mt -105.96 131.66 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.0 p -108.07 158.67 17.2 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 121.263 0.554 . . . . 0.0 110.033 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.6 p -55.98 -34.55 65.84 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.269 -0.894 . . . . 0.0 110.431 -178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.87 -39.75 83.69 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.964 -1.085 . . . . 0.0 109.795 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.5 -42.54 92.01 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.323 -0.861 . . . . 0.0 110.553 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.63 -53.15 16.97 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.241 -0.912 . . . . 0.0 109.748 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.45 -40.94 98.35 Favored Glycine 0 N--CA 1.486 2.009 0 C-N-CA 119.261 -1.447 . . . . 0.0 109.742 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.5 m -60.5 -46.41 90.23 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.88 -1.365 . . . . 0.0 109.273 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.59 -37.78 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.76 -1.213 . . . . 0.0 109.051 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.4 ttt -62.26 -35.6 79.46 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.03 -1.044 . . . . 0.0 109.135 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -58.98 -37.34 76.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.402 -0.811 . . . . 0.0 109.724 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.571 ' C ' ' H ' ' A' ' 40' ' ' GLY . 75.0 m -59.6 -30.1 68.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.207 -0.933 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.524 HD11 ' CE1' ' B' ' 204' ' ' PHE . 1.2 tt -68.37 16.83 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.322 -0.861 . . . . 0.0 108.881 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 64.01 33.23 86.67 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -113.6 160.31 18.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.603 -0.939 . . . . 0.0 109.505 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -140.3 69.99 33.44 Favored Pre-proline 0 C--N 1.296 -1.74 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.69 160.03 44.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 122.42 2.08 . . . . 0.0 112.21 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.0 p -104.47 168.73 8.9 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-O 121.743 0.782 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.62 -42.96 93.84 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.083 -178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.86 95.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.077 -1.014 . . . . 0.0 110.04 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.64 -45.27 87.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.91 -1.119 . . . . 0.0 110.123 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.83 -38.0 82.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.356 -0.84 . . . . 0.0 109.475 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -60.4 -47.43 86.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.926 . . . . 0.0 109.252 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.05 -41.99 98.72 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.212 -0.93 . . . . 0.0 109.89 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' O ' ' B' ' 200' ' ' ACE . 47.7 mtt -59.99 -50.72 72.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.997 -1.064 . . . . 0.0 110.705 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -36.81 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.966 -1.084 . . . . 0.0 110.766 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -57.81 -35.79 71.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.443 -0.786 . . . . 0.0 110.611 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.92 -19.61 52.71 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.13 -0.981 . . . . 0.0 111.382 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.4 p -134.26 27.7 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.28 0 O-C-N 121.059 -1.025 . . . . 0.0 111.704 -179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -92.23 101.93 14.43 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.686 -1.259 . . . . 0.0 108.777 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.07 -18.04 21.34 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.189 -1.004 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 64' ' ' ASP . 64.1 m-20 -89.89 -14.65 33.81 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.888 -1.132 . . . . 0.0 108.547 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.55 18.85 68.35 Favored Glycine 0 N--CA 1.483 1.811 0 N-CA-C 107.71 -2.156 . . . . 0.0 107.71 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' ND2' ' OG1' ' A' ' 62' ' ' THR . 52.4 p-10 -95.13 1.67 54.93 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.632 -0.922 . . . . 0.0 110.293 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.91 22.49 75.74 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 60.1 p -140.68 160.6 39.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.235 -1.156 . . . . 0.0 108.107 178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 79.0 mt -106.2 122.33 59.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.375 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 65.7 m-20 -93.29 157.32 16.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.972 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.426 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 31.0 t80 -46.86 -51.55 38.26 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.287 -0.883 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 19.6 Cg_endo -59.7 -35.35 94.98 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 CA-C-N 120.958 1.378 . . . . 0.0 111.515 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.18 -43.91 93.63 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -61.65 -43.98 97.83 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.24 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.43 -39.64 88.16 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.929 0.871 . . . . 0.0 109.717 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.9 m -61.92 -42.98 99.72 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ttp -60.96 -40.65 94.18 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.208 -0.932 . . . . 0.0 109.005 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.61 -40.37 91.59 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.085 -1.009 . . . . 0.0 110.272 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -25.67 55.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.971 -1.081 . . . . 0.0 108.83 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -57.73 -25.06 59.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.464 -0.773 . . . . 0.0 110.446 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' B' ' 210' ' ' LYS . 38.5 ttpt -56.55 -45.5 81.19 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.132 -0.98 . . . . 0.0 109.061 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -63.74 -40.78 97.56 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.224 -0.923 . . . . 0.0 110.107 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.84 -37.85 73.18 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.146 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.1 t0 58.08 60.23 2.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.237 -0.914 . . . . 0.0 109.431 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -76.21 0.49 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.103 -0.998 . . . . 0.0 110.059 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.85 -24.62 24.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.842 -1.161 . . . . 0.0 109.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.459 ' OG ' ' NZ ' ' B' ' 206' ' ' LYS . 70.4 m -54.3 -22.96 13.34 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.601 -0.687 . . . . 0.0 109.211 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.37 -46.24 86.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.1 -38.19 87.95 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.216 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -72.05 -23.39 61.36 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.275 -0.891 . . . . 0.0 110.198 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.37 -39.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -63.49 -37.37 87.05 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.767 -1.208 . . . . 0.0 110.214 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.4 -36.85 83.63 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.951 -1.093 . . . . 0.0 109.665 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.2 -33.46 63.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.231 -0.918 . . . . 0.0 109.867 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 33.4 t80 -55.83 -37.95 69.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.007 -1.058 . . . . 0.0 109.201 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -65.24 -37.03 85.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.356 -0.84 . . . . 0.0 109.966 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.57 -40.85 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 120.953 -1.092 . . . . 0.0 109.445 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -72.3 -41.7 66.32 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.44 -0.787 . . . . 0.0 109.855 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -81.47 83.81 6.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.072 -1.018 . . . . 0.0 110.035 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -65.14 -42.92 93.38 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.502 -0.749 . . . . 0.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.8 p30 -68.7 -26.91 65.52 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.957 -1.09 . . . . 0.0 110.945 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.27 14.77 81.61 Favored Glycine 0 N--CA 1.489 2.178 0 C-N-CA 119.462 -1.351 . . . . 0.0 109.817 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.7 p-10 -69.92 -5.68 27.74 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.977 -1.308 . . . . 0.0 108.705 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.77 2.81 81.17 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 36.4 m-85 -136.94 145.77 44.64 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.43 127.48 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.804 -1.185 . . . . 0.0 108.754 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.0 p -105.72 166.37 10.51 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.975 0.893 . . . . 0.0 110.705 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.75 88.81 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.871 -0.518 . . . . 0.0 111.398 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.5 86.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.434 -1.416 . . . . 0.0 108.643 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.54 -41.22 97.03 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.228 -0.92 . . . . 0.0 110.443 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -67.32 -39.71 85.89 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.222 -0.924 . . . . 0.0 110.761 -178.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -64.83 -37.21 86.84 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.437 -1.414 . . . . 0.0 110.167 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -65.07 -60.51 2.95 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.339 -0.851 . . . . 0.0 112.532 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.55 -40.51 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.055 -1.028 . . . . 0.0 109.29 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 105' ' ' LEU . 94.1 mtp -62.23 -38.28 88.62 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.117 -0.99 . . . . 0.0 110.193 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.3 m -64.78 -40.25 94.95 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.223 -0.923 . . . . 0.0 110.742 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -64.25 -22.47 66.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.137 -0.977 . . . . 0.0 111.191 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.1 mt -88.46 7.87 30.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.794 -1.191 . . . . 0.0 109.775 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.25 13.76 82.45 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -108.65 141.5 40.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.7 -0.883 . . . . 0.0 109.212 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.9 124.62 11.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -115.28 -176.86 3.0 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.7 p -100.88 163.67 12.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.157 -0.964 . . . . 0.0 109.214 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.56 -39.45 84.07 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.112 -0.992 . . . . 0.0 110.12 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.21 -40.21 95.33 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.049 -1.032 . . . . 0.0 109.358 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.47 -43.45 94.16 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.256 -0.902 . . . . 0.0 109.694 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -72.07 -37.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -60.76 -43.12 98.39 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 110.037 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.79 -37.9 88.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.07 -1.019 . . . . 0.0 110.054 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 48.0 mtt -61.09 -39.87 91.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.302 -0.874 . . . . 0.0 109.816 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.56 -44.18 99.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 108.831 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -61.09 -45.89 92.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.873 -1.142 . . . . 0.0 110.898 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.79 -39.15 87.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.21 -0.931 . . . . 0.0 111.812 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.31 -11.5 54.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.67 -1.268 . . . . 0.0 111.031 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -76.01 90.58 3.03 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.725 -1.234 . . . . 0.0 109.861 -178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.95 -46.07 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.8 p30 -76.28 -23.93 54.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.065 -1.022 . . . . 0.0 109.06 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.543 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 85.91 22.07 50.69 Favored Glycine 0 N--CA 1.481 1.662 0 C-N-CA 119.323 -1.418 . . . . 0.0 110.191 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.465 ' OD2' ' OD2' ' A' ' 131' ' ' ASP . 42.7 p30 -80.08 -6.78 58.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -1.138 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 80.88 -1.34 84.47 Favored Glycine 0 N--CA 1.496 2.697 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -138.66 159.68 41.51 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.195 -1.179 . . . . 0.0 108.293 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.2 t -98.65 123.69 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 120.955 -1.091 . . . . 0.0 108.563 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.26 -176.16 2.98 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.976 0.893 . . . . 0.0 110.599 -177.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 11.0 m-85 -60.98 -40.28 92.86 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -60.47 -50.46 73.49 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.836 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -67.97 -42.08 81.42 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.148 -0.97 . . . . 0.0 109.288 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.33 -48.44 79.8 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.583 -0.698 . . . . 0.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.8 t -67.17 -43.19 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.154 -1.591 . . . . 0.0 108.382 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -70.38 -36.77 74.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.321 -0.862 . . . . 0.0 112.173 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 ttt -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.843 -1.161 . . . . 0.0 110.521 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -7.21 11.54 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.119 -0.988 . . . . 0.0 112.603 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -95.45 54.74 1.63 Allowed 'General case' 0 N--CA 1.51 2.53 0 O-C-N 120.339 -1.476 . . . . 0.0 109.931 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.35 135.82 47.17 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.438 -0.789 . . . . 0.0 109.273 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 117.988 -1.005 . . . . 0.0 109.354 -179.658 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.509 ' O ' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.214 -0.795 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 98.1 mtp -131.07 21.37 4.89 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 27.6 p-10 -56.56 -51.6 67.97 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.195 -0.941 . . . . 0.0 111.072 -178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.405 ' N ' ' OD1' ' B' ' 202' ' ' ASP . 7.5 p -72.97 -27.46 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 120.817 -1.177 . . . . 0.0 111.296 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.524 ' CE1' HD11 ' A' ' 39' ' ' LEU . 3.8 t80 -52.39 -49.12 65.07 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 111.049 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . . . . . . . . . 19.6 ptp -87.01 -38.35 16.66 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.682 -1.261 . . . . 0.0 109.836 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.459 ' NZ ' ' OG ' ' A' ' 81' ' ' SER . 38.9 ttpt -63.96 -40.93 97.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.041 -1.037 . . . . 0.0 110.666 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.58 97.15 Favored Glycine 0 N--CA 1.49 2.262 0 C-N-CA 119.375 -1.393 . . . . 0.0 109.937 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . 0.432 ' O ' HD12 ' B' ' 208' ' ' LEU . 0.1 OUTLIER -72.9 -50.79 21.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.972 -1.31 . . . . 0.0 109.251 -179.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . 0.42 ' N ' ' HG ' ' B' ' 208' ' ' LEU . 92.8 p -65.58 -38.92 90.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.914 -1.116 . . . . 0.0 109.88 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 75' ' ' LYS . 55.9 tptt -63.48 -42.88 98.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.357 -0.839 . . . . 0.0 109.383 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -61.82 -21.41 64.61 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -94.09 123.34 37.4 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.662 ' O ' HG23 ' B' ' 216' ' ' VAL . 47.6 tp10 -124.42 -90.59 0.56 Allowed 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' B' ' 216' ' ' VAL . . . -60.56 -39.56 96.61 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.427 ' O ' HG13 ' B' ' 215' ' ' VAL . 0.3 OUTLIER -67.95 3.59 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.125 -1.22 . . . . 0.0 109.845 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 213' ' ' GLU . 44.5 t -60.14 -39.74 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.161 -0.962 . . . . 0.0 111.366 -178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -59.12 -47.02 86.81 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.569 -1.332 . . . . 0.0 110.976 -177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.12 -40.59 90.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.625 -1.297 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -134.21 -104.51 0.23 Allowed 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.832 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.313 0.578 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -91.69 0.45 57.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.186 -0.947 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -39.44 91.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.322 -0.861 . . . . 0.0 109.492 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 tp -129.56 147.88 51.41 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.3 p -107.99 156.52 19.14 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-O 121.727 0.775 . . . . 0.0 110.769 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -64.91 -20.13 66.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.577 -0.702 . . . . 0.0 110.402 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.8 -40.2 83.93 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.018 -1.051 . . . . 0.0 109.697 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -64.02 -40.71 96.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.341 -0.849 . . . . 0.0 110.748 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.8 mt -63.7 -45.25 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.562 -1.336 . . . . 0.0 109.351 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.53 -38.33 90.71 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.073 -1.017 . . . . 0.0 110.188 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -62.02 -44.02 97.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.922 -1.111 . . . . 0.0 110.677 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.12 -28.88 20.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.991 -1.068 . . . . 0.0 110.834 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.9 -43.86 97.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.993 -1.067 . . . . 0.0 109.274 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.92 -46.09 90.48 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.397 -0.814 . . . . 0.0 109.15 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -28.51 61.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 110.12 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 68' ' ' PHE . 84.6 t80 -59.11 -46.43 88.33 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.132 -0.98 . . . . 0.0 111.558 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.0 m -59.41 -36.38 75.75 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.95 -1.094 . . . . 0.0 111.32 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -40.92 71.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.671 -1.268 . . . . 0.0 110.406 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -67.94 -39.52 83.45 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.7 -1.25 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -83.71 81.73 8.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.759 -1.213 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.24 -24.51 67.69 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.12 -0.988 . . . . 0.0 109.757 -179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -28.97 70.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.77 10.14 83.21 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 120.536 -1.352 . . . . 0.0 110.206 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.1 p30 -90.87 3.7 53.82 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.215 -1.168 . . . . 0.0 109.799 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.62 8.69 87.54 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.7 p -135.33 149.71 49.8 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.179 -1.189 . . . . 0.0 108.845 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -104.76 128.96 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -104.88 157.9 16.89 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.213 0.53 . . . . 0.0 109.628 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.2 p -55.47 -34.69 64.75 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.282 -0.886 . . . . 0.0 109.896 -178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -66.6 -41.39 88.51 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.126 -0.983 . . . . 0.0 110.093 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.5 -41.61 93.02 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.375 -0.828 . . . . 0.0 111.446 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.19 -54.91 10.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.059 -1.025 . . . . 0.0 109.909 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.76 99.11 Favored Glycine 0 N--CA 1.485 1.94 0 C-N-CA 119.434 -1.365 . . . . 0.0 110.283 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.9 m -59.38 -46.21 89.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.657 -1.496 . . . . 0.0 109.611 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.02 -37.99 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.684 -1.26 . . . . 0.0 109.489 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' B' ' 202' ' ' ASP . 48.8 ttp -67.61 -37.35 82.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.922 -1.112 . . . . 0.0 109.759 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -59.35 -35.05 73.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.056 -1.027 . . . . 0.0 109.694 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.569 ' C ' ' H ' ' A' ' 40' ' ' GLY . 74.6 m -55.81 -33.81 64.78 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.105 -0.997 . . . . 0.0 109.126 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.51 25.7 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.181 -0.949 . . . . 0.0 108.69 179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 63.99 41.71 98.51 Favored Glycine 0 N--CA 1.484 1.85 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.628 ' NE2' ' N ' ' B' ' 202' ' ' ASP . 51.0 mt-30 -117.1 155.28 29.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.587 -0.949 . . . . 0.0 109.15 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -142.13 75.38 20.35 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.527 -0.733 . . . . 0.0 109.315 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.8 162.53 26.78 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.845 2.363 . . . . 0.0 112.729 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 p -104.63 162.41 13.3 Favored 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.69 0.757 . . . . 0.0 109.775 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.66 -43.51 97.55 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.704 -0.623 . . . . 0.0 110.608 -178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.4 94.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.924 -1.11 . . . . 0.0 109.997 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.63 -46.25 86.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.809 -1.182 . . . . 0.0 109.918 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.54 -38.87 81.2 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.336 -0.853 . . . . 0.0 110.598 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.711 HE22 ' ND2' ' A' ' 53' ' ' ASN . 8.7 tm0? -61.69 -42.51 99.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.955 -1.09 . . . . 0.0 108.5 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.44 -45.23 91.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.458 -0.776 . . . . 0.0 110.442 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HG2' ' HZ1' ' B' ' 206' ' ' LYS . 7.2 mtt -60.29 -52.11 66.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.918 -1.114 . . . . 0.0 110.697 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -35.91 76.03 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.261 -0.899 . . . . 0.0 109.907 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.711 ' ND2' HE22 ' A' ' 49' ' ' GLN . 7.6 m-20 -59.1 -27.07 65.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.071 -1.018 . . . . 0.0 110.442 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -63.81 -21.17 66.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.822 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 55' ' ' VAL . 2.8 p -135.0 29.0 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 121.206 -0.934 . . . . 0.0 111.871 -178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 66.8 t0 -91.41 104.3 16.83 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.61 -1.306 . . . . 0.0 108.95 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.23 -23.47 18.52 Favored 'General case' 0 N--CA 1.504 2.236 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.324 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 20.3 p30 -93.44 -7.74 43.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.047 -1.033 . . . . 0.0 109.147 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 62.88 26.08 68.48 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.996 -1.642 . . . . 0.0 108.996 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 52.0 p30 -96.25 1.33 52.0 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.404 -1.056 . . . . 0.0 110.215 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.2 22.51 74.48 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.479 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 71.5 p -140.42 160.98 38.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.289 -1.124 . . . . 0.0 107.968 178.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.3 mt -106.1 122.52 59.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.778 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -93.19 156.73 16.66 Favored 'General case' 0 C--N 1.302 -1.47 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.857 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 30.4 t80 -46.95 -52.18 34.89 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.204 -0.935 . . . . 0.0 111.617 -178.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -59.15 -35.66 97.32 Favored 'Trans proline' 0 N--CA 1.49 1.267 0 CA-C-N 120.921 1.365 . . . . 0.0 111.541 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.21 -44.23 92.56 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' CD2' ' CD1' ' A' ' 16' ' ' PHE . 31.2 t80 -61.86 -45.74 92.49 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.689 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -59.06 -39.77 83.11 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.988 0.899 . . . . 0.0 109.477 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -63.57 -42.88 98.28 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ttp -62.06 -41.29 97.99 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.13 -0.981 . . . . 0.0 109.14 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mmm -59.96 -42.39 94.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.505 -0.747 . . . . 0.0 110.487 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -27.13 51.19 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.844 -1.16 . . . . 0.0 108.313 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -64.05 -29.29 70.44 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.42 -0.8 . . . . 0.0 110.011 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.524 ' HZ1' ' HB3' ' B' ' 206' ' ' LYS . 60.2 mmtt -60.15 -43.27 95.89 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 110.393 -177.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.9 ptp -68.99 -13.62 62.56 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.638 -1.289 . . . . 0.0 110.161 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 57.4 tptt -68.54 -38.06 80.5 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.895 -1.128 . . . . 0.0 110.004 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 77' ' ' LYS . 12.6 t0 81.81 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.55 -81.51 0.63 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.614 -0.679 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' GLU . 97.1 m-20 -88.78 -25.58 22.17 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.082 -1.011 . . . . 0.0 108.274 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.3 t -46.98 -26.22 0.96 Allowed 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -63.01 -41.99 99.7 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.196 -0.94 . . . . 0.0 108.557 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 80' ' ' ASP . 98.3 mt-10 -66.0 -40.32 91.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.397 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -70.03 -38.39 75.87 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.095 -1.003 . . . . 0.0 109.74 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.486 HD11 ' HG3' ' B' ' 210' ' ' LYS . 61.4 mt -62.66 -39.86 86.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.526 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 120.891 -1.131 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -61.23 -37.49 83.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.151 -0.968 . . . . 0.0 109.581 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -31.93 59.6 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.588 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 28.7 t80 -57.23 -38.37 73.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.76 -39.67 94.88 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.438 -0.789 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG23 ' H2 ' ' B' ' 200' ' ' ACE . 0.9 OUTLIER -77.18 -37.83 26.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.944 -1.097 . . . . 0.0 109.859 -178.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -67.52 -41.92 83.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.134 -0.979 . . . . 0.0 109.331 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -83.73 84.64 7.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.893 -1.13 . . . . 0.0 109.974 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -65.52 -38.5 89.84 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.572 -0.705 . . . . 0.0 110.719 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 74.3 m-20 -67.03 -28.92 68.62 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.216 -0.927 . . . . 0.0 110.65 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.9 12.3 84.72 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.449 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 34.9 p-10 -71.58 -4.79 28.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.102 -1.234 . . . . 0.0 109.047 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.42 4.02 86.29 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 32.9 m-85 -137.16 146.33 44.83 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.44 127.62 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.071 -1.018 . . . . 0.0 108.903 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.0 p -105.33 165.12 11.34 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.988 0.899 . . . . 0.0 110.537 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.32 90.78 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.892 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.45 87.28 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.381 -1.449 . . . . 0.0 108.78 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.446 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 88.6 mt-10 -61.46 -39.95 92.73 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.875 . . . . 0.0 110.136 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -66.87 -39.01 87.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.398 -0.814 . . . . 0.0 111.339 -178.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -65.47 -36.04 82.68 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 120.311 -1.493 . . . . 0.0 110.244 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -65.64 -60.18 3.18 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.281 -0.887 . . . . 0.0 112.624 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.6 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.012 -1.055 . . . . 0.0 109.452 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.469 ' SD ' HD23 ' A' ' 105' ' ' LEU . 97.2 mtp -62.42 -37.89 87.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.04 -1.037 . . . . 0.0 110.142 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.0 m -65.36 -40.05 93.08 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.193 -0.942 . . . . 0.0 110.893 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -64.75 -22.34 66.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.097 -1.002 . . . . 0.0 111.565 -178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.2 mt -88.29 9.64 22.47 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.741 -1.224 . . . . 0.0 109.988 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.36 11.66 84.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -104.71 139.69 39.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.589 -0.948 . . . . 0.0 109.153 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -143.9 119.89 10.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.386 -0.821 . . . . 0.0 109.577 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.32 -177.45 3.13 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -101.12 163.33 12.33 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.28 -0.887 . . . . 0.0 108.983 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.61 -38.91 82.56 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.003 -1.061 . . . . 0.0 110.03 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.32 -39.9 94.55 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.016 -1.052 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.2 -43.67 94.35 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.14 -36.55 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -59.96 -48.14 82.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.118 -0.989 . . . . 0.0 109.151 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.87 -37.52 86.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.179 -0.951 . . . . 0.0 109.79 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.1 ttt -53.95 -40.66 67.02 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.21 -40.68 83.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.491 -0.755 . . . . 0.0 109.11 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -61.18 -42.4 98.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.241 -0.912 . . . . 0.0 110.925 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -69.66 -38.87 77.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.73 -1.231 . . . . 0.0 111.269 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.69 -4.27 59.15 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 120.941 -1.1 . . . . 0.0 110.991 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -79.75 89.25 5.19 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.665 -1.272 . . . . 0.0 110.331 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.406 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 0.9 OUTLIER -94.14 -45.81 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 111.414 -179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 52.8 p-10 -75.31 -26.1 58.39 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.073 -1.017 . . . . 0.0 108.889 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 81.76 20.65 63.14 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 55.6 p-10 -77.78 -7.5 56.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.383 -1.069 . . . . 0.0 109.943 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.26 -11.01 68.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 10.3 mp0 -131.59 166.78 20.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.327 -1.102 . . . . 0.0 108.467 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.32 125.23 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.606 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.63 -178.72 3.67 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.806 0.812 . . . . 0.0 110.595 -178.265 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.588 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 6.9 m-85 -59.34 -39.51 83.38 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -50.16 74.82 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.356 -0.84 . . . . 0.0 109.676 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 130' ' ' ILE . 48.0 mt-10 -68.02 -41.8 81.62 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.113 -0.992 . . . . 0.0 109.603 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -62.45 -48.67 78.64 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.626 -0.671 . . . . 0.0 111.427 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.68 -42.64 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.895 -1.753 . . . . 0.0 107.108 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -65.21 -36.79 85.26 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.288 -0.883 . . . . 0.0 111.946 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.0 ttp -58.93 -48.28 82.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.826 -1.171 . . . . 0.0 111.487 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -0.26 17.9 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.08 -1.012 . . . . 0.0 113.036 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.23 54.15 0.97 Allowed 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.423 -1.423 . . . . 0.0 109.214 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.76 144.64 33.11 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.44 -0.788 . . . . 0.0 109.525 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 148' ' ' LYS . 15.7 ptpt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.091 -0.957 . . . . 0.0 109.109 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.789 ' O ' HG12 ' B' ' 203' ' ' VAL . . . . . . . . 0 C--O 1.21 -1.01 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 62.2 mtt -62.75 -36.78 84.17 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.298 -0.876 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.628 ' N ' ' NE2' ' A' ' 41' ' ' GLN . 49.0 p30 -51.58 -25.73 7.41 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.807 -1.183 . . . . 0.0 109.959 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . 0.789 HG12 ' O ' ' B' ' 200' ' ' ACE . 6.6 p -64.86 -17.88 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.027 -1.045 . . . . 0.0 109.624 179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.532 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.6 OUTLIER -50.92 -33.87 26.15 Favored 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.994 -1.067 . . . . 0.0 110.916 -177.316 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 205' ' ' MET . 3.6 ppp? -79.42 -28.4 41.73 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 120.476 -1.39 . . . . 0.0 109.477 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.524 ' HB3' ' HZ1' ' A' ' 75' ' ' LYS . 98.7 mttt -86.62 -31.76 20.96 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.148 -0.97 . . . . 0.0 110.253 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' B' ' 211' ' ' ALA . . . -75.84 -4.39 76.65 Favored Glycine 0 N--CA 1.493 2.478 0 O-C-N 121.076 -1.015 . . . . 0.0 110.718 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.3 -52.1 10.13 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.015 -1.285 . . . . 0.0 110.17 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.4 m -65.45 -39.59 92.2 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.099 -1.001 . . . . 0.0 110.93 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . 0.486 ' HG3' HD11 ' A' ' 85' ' ' ILE . 73.9 mmtt -94.61 6.24 49.45 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.172 -0.955 . . . . 0.0 110.832 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' B' ' 207' ' ' GLY . . . -60.39 -37.59 81.27 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.667 -1.271 . . . . 0.0 109.55 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -133.51 144.22 49.26 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.143 -0.973 . . . . 0.0 109.558 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . 0.603 ' CG ' ' H ' ' B' ' 214' ' ' GLY . 4.7 pm0 -171.48 -99.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.336 -0.853 . . . . 0.0 108.91 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . 0.603 ' H ' ' CG ' ' B' ' 213' ' ' GLU . . . -59.63 -38.37 93.64 Favored Glycine 0 N--CA 1.497 2.737 0 N-CA-C 109.119 -1.592 . . . . 0.0 109.119 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 1.8 p -52.07 -13.58 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.947 -1.325 . . . . 0.0 109.508 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.419 ' N ' ' C ' ' B' ' 214' ' ' GLY . 51.7 t -61.5 -36.71 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.459 -0.776 . . . . 0.0 110.287 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -57.75 -39.2 76.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.116 -0.99 . . . . 0.0 111.236 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . 0.659 ' O ' ' HB3' ' B' ' 219' ' ' ALA . . . -60.42 -40.09 89.74 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.43 -1.418 . . . . 0.0 109.328 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' B' ' 218' ' ' ALA . . . 72.3 139.34 0.05 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.242 -0.911 . . . . 0.0 109.476 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -89.28 4.39 48.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.217 -0.927 . . . . 0.0 109.706 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -134.39 151.26 51.09 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.8 mt -110.83 138.33 47.37 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 p -108.44 161.34 15.12 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -60.87 -38.01 84.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.354 -0.841 . . . . 0.0 109.617 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -64.01 -39.14 93.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.083 -1.011 . . . . 0.0 110.971 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -62.86 -42.49 99.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.692 -1.255 . . . . 0.0 110.493 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -59.59 -39.88 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.518 -1.364 . . . . 0.0 108.924 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.46 77.92 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.938 -1.101 . . . . 0.0 109.863 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.44 -44.13 97.65 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.843 -1.161 . . . . 0.0 110.657 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -87.42 -21.17 25.75 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.888 -1.132 . . . . 0.0 110.016 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -64.25 -42.55 96.46 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.754 -1.216 . . . . 0.0 109.236 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.81 -43.44 98.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.024 -1.047 . . . . 0.0 109.351 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.29 83.65 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.22 -0.925 . . . . 0.0 109.092 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -58.13 -45.61 87.03 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 111.407 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.1 p -62.22 -20.56 64.33 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.886 -1.134 . . . . 0.0 111.546 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.0 -40.99 97.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.531 -1.356 . . . . 0.0 109.871 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CE2' ' SD ' ' B' ' 205' ' ' MET . 84.2 m-85 -69.13 -37.82 78.52 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.07 -1.019 . . . . 0.0 109.54 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.86 84.87 7.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.619 -1.301 . . . . 0.0 110.054 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.74 -39.54 94.43 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.266 -0.897 . . . . 0.0 111.179 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 57.6 p30 -65.43 -23.04 66.84 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.737 -1.227 . . . . 0.0 110.198 -178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 72.34 21.13 79.5 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -80.46 -0.91 39.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.036 -1.273 . . . . 0.0 109.378 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.32 4.2 90.5 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.6 p -136.07 147.49 47.88 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.359 -1.083 . . . . 0.0 108.468 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.3 mt -98.87 130.22 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.276 -0.89 . . . . 0.0 109.004 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.1 p -105.95 157.92 17.15 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-O 121.267 0.556 . . . . 0.0 110.393 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.0 p -56.97 -36.16 69.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.23 -0.919 . . . . 0.0 110.308 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.86 -41.88 95.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.077 -1.014 . . . . 0.0 109.789 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.55 -41.08 93.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.553 -0.717 . . . . 0.0 111.089 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD22 ' OD1' ' B' ' 202' ' ' ASP . 0.5 OUTLIER -69.32 -54.91 12.2 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 109.612 -179.247 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.69 -40.8 98.53 Favored Glycine 0 N--CA 1.484 1.875 0 C-N-CA 119.305 -1.426 . . . . 0.0 110.184 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.4 m -59.07 -46.09 89.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.559 -1.554 . . . . 0.0 108.896 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.78 -37.09 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 120.741 -1.224 . . . . 0.0 109.21 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 27.5 ttp -65.87 -37.19 85.51 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 120.652 -1.28 . . . . 0.0 109.369 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -60.44 -34.39 73.91 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.189 -0.945 . . . . 0.0 109.058 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.582 ' C ' ' H ' ' A' ' 40' ' ' GLY . 41.3 t -50.06 -35.21 24.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.258 -0.901 . . . . 0.0 108.794 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mt -69.82 23.76 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.246 -0.909 . . . . 0.0 108.757 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.582 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 60.22 42.6 98.74 Favored Glycine 0 N--CA 1.486 2.016 0 O-C-N 121.205 -0.934 . . . . 0.0 111.262 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.58 HE22 ' C ' ' B' ' 200' ' ' ACE . 91.0 mt-30 -112.92 164.57 13.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.457 -1.026 . . . . 0.0 110.114 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -138.04 73.58 45.06 Favored Pre-proline 0 N--CA 1.49 1.544 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -75.12 162.05 37.43 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.789 2.326 . . . . 0.0 113.26 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.46 163.1 13.73 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.851 0.834 . . . . 0.0 109.761 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -59.98 -41.73 92.64 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.236 -0.585 . . . . 0.0 110.356 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.93 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.964 -1.085 . . . . 0.0 110.698 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' OE2' ' SD ' ' A' ' 51' ' ' MET . 15.1 tm-20 -66.76 -46.12 76.36 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.547 -1.346 . . . . 0.0 110.308 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.04 -39.76 90.42 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.109 -0.995 . . . . 0.0 109.756 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -62.63 -45.87 90.84 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.929 -1.107 . . . . 0.0 108.687 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.72 -40.48 95.21 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.693 -0.629 . . . . 0.0 110.663 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 202' ' ' ASP . 14.2 mtt -58.28 -55.5 34.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.059 -1.026 . . . . 0.0 110.314 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 mt -67.88 -37.3 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 109.924 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -54.08 -27.95 35.96 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.3 -0.875 . . . . 0.0 110.467 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -66.51 -20.69 66.09 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 111.548 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 55' ' ' VAL . 1.4 p -134.94 29.92 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 121.0 -1.063 . . . . 0.0 111.807 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 67.6 t0 -88.56 98.67 11.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.553 -1.342 . . . . 0.0 109.244 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.12 -28.93 14.83 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 119.165 -1.014 . . . . 0.0 110.322 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD2' ' ND2' ' A' ' 60' ' ' ASN . 26.3 p30 -83.62 -13.99 53.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.908 -1.12 . . . . 0.0 108.827 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . 66.2 23.04 71.33 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.944 -1.662 . . . . 0.0 108.944 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.521 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -94.4 1.37 55.83 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.435 -1.038 . . . . 0.0 110.215 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.48 16.52 75.73 Favored Glycine 0 N--CA 1.495 2.571 0 O-C-N 121.084 -1.01 . . . . 0.0 110.674 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.3 p -140.41 161.78 36.89 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.197 -1.178 . . . . 0.0 107.943 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.0 mt -101.11 121.72 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.406 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' OD2' ' OD2' ' A' ' 58' ' ' ASP . 64.7 m-20 -93.15 154.2 18.2 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.152 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 14.8 t80 -43.46 -52.48 13.36 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.486 -0.759 . . . . 0.0 111.962 -178.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 18.8 Cg_endo -59.45 -34.77 97.23 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 CA-C-N 120.991 1.39 . . . . 0.0 111.553 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.56 -44.2 94.82 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.55 -46.36 90.27 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.171 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -59.94 -38.57 82.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.306 -0.872 . . . . 0.0 110.012 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.9 m -62.61 -43.49 98.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.703 -0.623 . . . . 0.0 109.619 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.3 ttp -62.35 -40.74 97.37 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.433 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.4 mmm -60.29 -40.84 91.89 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.747 . . . . 0.0 110.821 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.26 -24.28 51.13 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.908 -1.12 . . . . 0.0 109.14 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' ASP . 14.6 tpp85 -59.16 -39.66 83.17 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.571 -0.705 . . . . 0.0 110.303 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' ASP . 57.1 mtmt -62.78 -45.25 93.56 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 119.32 -0.952 . . . . 0.0 109.603 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.6 mmm -69.73 -40.3 76.29 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.169 -0.957 . . . . 0.0 110.558 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -81.12 -39.21 25.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.983 -1.073 . . . . 0.0 109.803 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 79' ' ' THR . 39.2 t0 -138.99 -173.94 3.71 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.987 0.899 . . . . 0.0 109.599 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 0.9 OUTLIER -131.1 55.36 1.85 Allowed 'General case' 0 C--N 1.292 -1.903 0 CA-C-O 121.729 0.776 . . . . 0.0 109.718 -179.317 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -71.47 -11.06 60.68 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -76.86 7.48 4.73 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.34 -40.6 78.34 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.377 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 -43.73 92.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.254 -0.904 . . . . 0.0 109.105 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 84' ' ' GLU . 59.0 mp0 -70.52 -29.46 65.96 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.285 -0.884 . . . . 0.0 109.674 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mt -60.7 -44.83 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.01 -36.86 84.42 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.936 -1.102 . . . . 0.0 109.985 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.492 ' OE2' ' SD ' ' B' ' 201' ' ' MET . 88.1 tt0 -61.64 -39.39 91.17 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.08 -1.012 . . . . 0.0 110.044 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.78 -31.24 58.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.112 -0.993 . . . . 0.0 109.463 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.617 ' CD1' ' CZ ' ' A' ' 138' ' ' TYR . 27.2 t80 -57.51 -41.04 80.02 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.213 -0.93 . . . . 0.0 109.17 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -63.53 -39.87 95.56 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.51 -0.744 . . . . 0.0 110.642 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.93 -40.01 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.123 -0.986 . . . . 0.0 109.777 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -69.55 -40.59 76.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.194 -0.941 . . . . 0.0 109.694 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -81.82 84.35 6.9 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.954 -1.091 . . . . 0.0 110.345 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.61 -41.56 92.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.5 -0.75 . . . . 0.0 111.52 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.565 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 54.0 p30 -68.24 -26.44 65.69 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.887 -1.133 . . . . 0.0 111.148 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 75.49 14.87 81.61 Favored Glycine 0 N--CA 1.488 2.139 0 C-N-CA 119.471 -1.347 . . . . 0.0 109.786 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.493 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.3 p-10 -71.2 -4.25 24.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.011 -1.288 . . . . 0.0 108.79 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.98 1.81 86.57 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.714 -1.755 . . . . 0.0 108.714 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.493 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 53.8 m-85 -135.74 148.08 48.68 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.7 mt -99.6 128.99 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.82 -1.175 . . . . 0.0 109.175 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 79.0 p -106.85 165.23 11.48 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 122.015 0.912 . . . . 0.0 110.691 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.52 91.57 Favored 'General case' 0 N--CA 1.5 2.053 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.236 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.08 85.27 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.281 -1.512 . . . . 0.0 108.539 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.46 -40.98 96.47 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.24 -0.912 . . . . 0.0 109.822 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.458 HD23 ' SD ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -65.75 -40.8 92.47 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.503 -0.748 . . . . 0.0 110.573 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' OG1' ' A' ' 110' ' ' THR . 58.9 ttp180 -61.83 -38.63 88.88 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 120.691 -1.256 . . . . 0.0 110.255 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.66 -61.45 2.19 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.299 -0.876 . . . . 0.0 112.578 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.99 -40.51 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.11 -0.994 . . . . 0.0 110.041 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 113' ' ' GLY . 98.9 mtp -62.73 -39.41 93.99 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.843 -1.161 . . . . 0.0 110.402 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 86.0 m -63.84 -48.58 76.18 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.039 -1.038 . . . . 0.0 110.749 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -70.71 -37.88 73.57 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.109 -0.994 . . . . 0.0 111.657 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.23 -3.58 31.2 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.462 -0.774 . . . . 0.0 110.943 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' MET . . . -145.64 -96.08 0.19 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 108.755 -1.738 . . . . 0.0 108.755 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.8 152.41 2.0 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.553 -1.557 . . . . 0.0 108.467 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.08 133.05 49.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.815 -1.178 . . . . 0.0 109.792 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.09 -170.9 1.72 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.3 p -101.28 160.24 14.58 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.075 -1.016 . . . . 0.0 108.969 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.1 -39.68 83.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.0 110.007 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.82 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.974 -1.079 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.13 -44.15 97.26 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.878 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 96.8 t -76.1 -29.65 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -60.08 -43.04 95.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.085 -1.009 . . . . 0.0 109.38 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.48 -38.5 90.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.163 -0.961 . . . . 0.0 109.911 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtt -56.15 -41.89 76.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.105 -0.997 . . . . 0.0 109.156 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.93 -43.67 89.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 109.671 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -60.06 -46.42 89.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.954 -1.091 . . . . 0.0 110.997 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.61 -38.78 90.43 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.973 -1.079 . . . . 0.0 111.232 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.424 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.23 -0.97 57.87 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.884 -1.135 . . . . 0.0 111.236 -178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -80.53 84.05 6.2 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.678 -1.264 . . . . 0.0 110.431 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -92.69 -45.34 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.937 . . . . 0.0 111.164 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 53.0 p-10 -76.25 -25.96 55.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.127 -0.983 . . . . 0.0 109.195 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 80.98 21.27 63.48 Favored Glycine 0 N--CA 1.483 1.775 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 56.4 p-10 -79.34 -7.7 58.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.356 -1.085 . . . . 0.0 110.295 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.11 -9.84 73.21 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 11.2 mp0 -131.72 164.17 26.54 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.351 -1.088 . . . . 0.0 108.548 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.9 t -100.6 124.18 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.608 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -108.43 -177.48 3.33 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.937 0.875 . . . . 0.0 110.909 -177.79 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.617 ' CZ ' ' CD1' ' A' ' 89' ' ' PHE . 8.8 m-85 -60.07 -39.99 87.95 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.67 -50.25 74.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.389 -0.819 . . . . 0.0 109.784 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -68.71 -41.63 78.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.278 -0.889 . . . . 0.0 109.545 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -62.6 -47.5 83.5 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.75 -0.594 . . . . 0.0 110.8 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.76 -43.68 79.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 O-C-N 120.043 -1.661 . . . . 0.0 108.451 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -64.86 -38.32 90.57 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.442 -0.786 . . . . 0.0 110.672 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.424 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 5.3 ttp -61.19 -38.76 87.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.138 -0.976 . . . . 0.0 110.491 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.1 mmm -82.67 -15.36 52.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.145 -0.972 . . . . 0.0 112.194 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.02 56.74 3.27 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 120.546 -1.346 . . . . 0.0 108.921 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.44 37.81 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.335 -0.853 . . . . 0.0 109.751 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.2 pttt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.254 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ACE . . . . . 0.58 ' C ' HE22 ' A' ' 41' ' ' GLN . . . . . . . . 0 C--O 1.216 -0.701 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . 0.501 ' O ' ' N ' ' B' ' 204' ' ' PHE . 26.7 mtt -118.87 -157.73 0.7 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 51' ' ' MET . 66.8 m-20 -48.01 -27.5 2.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.044 -1.66 . . . . 0.0 107.879 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.81 -26.32 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.603 -0.686 . . . . 0.0 109.81 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' B' ' 204' ' ' PHE . 0.2 OUTLIER -50.0 -31.59 13.11 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 121.261 -0.899 . . . . 0.0 110.833 -177.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 205' ' ' MET . . . . . 0.595 ' SD ' ' CE2' ' A' ' 19' ' ' PHE . 3.7 ptp -101.87 -3.48 27.86 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.003 -1.061 . . . . 0.0 109.25 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . . . . . . . . . 16.6 ttmt -97.79 -66.73 0.88 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.416 -0.802 . . . . 0.0 111.119 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' GLY . . . . . . . . . . . . . . . -60.21 -40.51 97.39 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.22 -47.44 84.43 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.322 -1.105 . . . . 0.0 109.82 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' SER . . . . . . . . . . . . . 75.1 m -61.77 -42.58 99.18 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.123 -0.985 . . . . 0.0 109.428 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -63.18 -43.74 97.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ALA . . . . . . . . . . . . . . . -87.58 -2.29 58.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.296 -0.878 . . . . 0.0 110.289 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . 0.767 ' O ' HG23 ' B' ' 216' ' ' VAL . 39.8 ttmt -59.94 -44.73 94.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.002 -1.061 . . . . 0.0 109.354 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -68.46 -40.55 81.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.986 -1.072 . . . . 0.0 109.641 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.78 97.33 Favored Glycine 0 N--CA 1.496 2.673 0 C-N-CA 119.636 -1.269 . . . . 0.0 110.412 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -22.53 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.692 -1.475 . . . . 0.0 110.544 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' VAL . . . . . 0.767 HG23 ' O ' ' B' ' 212' ' ' LYS . 51.3 t -63.05 -37.8 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.07 -1.019 . . . . 0.0 110.395 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -52.47 -24.35 7.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.076 -1.015 . . . . 0.0 110.68 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.15 88.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.585 -1.322 . . . . 0.0 109.353 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . . . . -171.46 146.17 2.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.244 -0.91 . . . . 0.0 109.439 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_